3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate

C192H246F6O42 — CID 160691563

IUPAC3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCCCCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCCCCCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCCCCCCCCCC)c(F)c2)ccc1OCC1COC(=O)OC1
InChIInChI=1S/C36H49FO7.C34H45FO7.C33H43FO7.C31H39FO7.C30H37FO7.C28H33FO7/c1-4-5-6-7-8-9-10-11-12-13-20-40-34-19-17-30(23-32(34)37)29-16-18-33(42-24-28-25-43-36(39)44-26-28)31(22-29)15-14-21-41-35(38)27(2)3;1-4-5-6-7-8-9-10-11-18-38-32-17-15-28(21-30(32)35)27-14-16-31(40-22-26-23-41-34(37)42-24-26)29(20-27)13-12-19-39-33(36)25(2)3;1-4-5-6-7-8-9-10-17-37-31-16-14-27(20-29(31)34)26-13-15-30(39-21-25-22-40-33(36)41-23-25)28(19-26)12-11-18-38-32(35)24(2)3;1-4-5-6-7-8-15-35-29-14-12-25(18-27(29)32)24-11-13-28(37-19-23-20-38-31(34)39-21-23)26(17-24)10-9-16-36-30(33)22(2)3;1-4-5-6-7-14-34-28-13-11-24(17-26(28)31)23-10-12-27(36-18-22-19-37-30(33)38-20-22)25(16-23)9-8-15-35-29(32)21(2)3;1-4-5-12-32-26-11-9-22(15-24(26)29)21-8-10-25(34-16-20-17-35-28(31)36-18-20)23(14-21)7-6-13-33-27(30)19(2)3/h16-19,22-23,28H,2,4-15,20-21,24-26H2,1,3H3;14-17,20-21,26H,2,4-13,18-19,22-24H2,1,3H3;13-16,19-20,25H,2,4-12,17-18,21-23H2,1,3H3;11-14,17-18,23H,2,4-10,15-16,19-21H2,1,3H3;10-13,16-17,22H,2,4-9,14-15,18-20H2,1,3H3;8-11,14-15,20H,2,4-7,12-13,16-18H2,1,3H3
InChIKeyRPLWICIYDROUMU-UHFFFAOYSA-N
MW3340.03 g/mol
LogP44.67
Rot. Bonds102

About 3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate

3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate (PubChem CID 160691563) has the molecular formula C192H246F6O42 and a molecular weight of 3340.03 g/mol. Its IUPAC name is 3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate
PubChem CID160691563
Molecular FormulaC192H246F6O42
Molecular Weight3340.03 g/mol
Exact Mass3337.70
IUPAC Name3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCCCCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCCCCCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCCCCCCCCCC)c(F)c2)ccc1OCC1COC(=O)OC1
InChIInChI=1S/C36H49FO7.C34H45FO7.C33H43FO7.C31H39FO7.C30H37FO7.C28H33FO7/c1-4-5-6-7-8-9-10-11-12-13-20-40-34-19-17-30(23-32(34)37)29-16-18-33(42-24-28-25-43-36(39)44-26-28)31(22-29)15-14-21-41-35(38)27(2)3;1-4-5-6-7-8-9-10-11-18-38-32-17-15-28(21-30(32)35)27-14-16-31(40-22-26-23-41-34(37)42-24-26)29(20-27)13-12-19-39-33(36)25(2)3;1-4-5-6-7-8-9-10-17-37-31-16-14-27(20-29(31)34)26-13-15-30(39-21-25-22-40-33(36)41-23-25)28(19-26)12-11-18-38-32(35)24(2)3;1-4-5-6-7-8-15-35-29-14-12-25(18-27(29)32)24-11-13-28(37-19-23-20-38-31(34)39-21-23)26(17-24)10-9-16-36-30(33)22(2)3;1-4-5-6-7-14-34-28-13-11-24(17-26(28)31)23-10-12-27(36-18-22-19-37-30(33)38-20-22)25(16-23)9-8-15-35-29(32)21(2)3;1-4-5-12-32-26-11-9-22(15-24(26)29)21-8-10-25(34-16-20-17-35-28(31)36-18-20)23(14-21)7-6-13-33-27(30)19(2)3/h16-19,22-23,28H,2,4-15,20-21,24-26H2,1,3H3;14-17,20-21,26H,2,4-13,18-19,22-24H2,1,3H3;13-16,19-20,25H,2,4-12,17-18,21-23H2,1,3H3;11-14,17-18,23H,2,4-10,15-16,19-21H2,1,3H3;10-13,16-17,22H,2,4-9,14-15,18-20H2,1,3H3;8-11,14-15,20H,2,4-7,12-13,16-18H2,1,3H3
InChIKeyRPLWICIYDROUMU-UHFFFAOYSA-N
XLogP44.67
TPSA481.74 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds102
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003340.03
LogP ≤ 544.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(3,5-dimethyl-4-octoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate
CID 139442755
2-[2-(3-fluoro-4-octoxyphenyl)-5-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate
CID 139442882
2-[5-heptyl-2-[3-[2-(2-methylprop-2-enoyloxy)ethyl]-4-[2-[(2-oxo-1,3-dioxan-5-yl)methoxy]ethoxy]phenyl]phenyl]ethyl 2-methylprop-2-enoate
CID 139442910
3-[5-(3-fluoro-4-octoxyphenyl)-2-[[5-(prop-2-enoyloxymethyl)-2-sulfanylidene-1,3-dioxan-5-yl]methoxy]phenyl]propyl 2-methylprop-2-enoate
CID 153465184
2-[5-(3-fluoro-4-nonylphenyl)-2-[(5-methyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]ethyl 2-methylprop-2-enoate
CID 154596483
5-[2-[2,2-bis(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propoxy]-5-[3-fluoro-4-[2-(4-octoxyphenoxy)ethoxy]phenyl]phenyl]pentyl 2-methylprop-2-enoate
CID 149118057
3-[2-decoxy-5-[3,5-dimethyl-4-[(5-methyl-2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]phenyl]propyl 2-methylprop-2-enoate
CID 139442831
3-[5-[4-(2-fluoro-4-pentylphenyl)phenyl]-2-(2-hydroxyethoxy)phenyl]propyl 2-methylprop-2-enoate
CID 134193418
3-[5-(4-hexoxyphenyl)-3-[3-(2-methylprop-2-enoyloxy)propyl]-2-[(8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate
CID 163607935
3-[5-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-2-(2-hydroxyethoxy)phenyl]propyl 2-methylprop-2-enoate
CID 134193422
[2-butyl-4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 154596476
[5-(3-fluoro-4-octoxyphenyl)-2-[3-methoxy-2-(methoxymethyl)propoxy]-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 154968328

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate (CID 160691563) is 3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCCCCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCCCCCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.C=C(C)C(=O)OCCCc1cc(-c2ccc(OCCCCCCCCCCCC)c(F)c2)ccc1OCC1COC(=O)OC1.
What is the InChIKey of 3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate?
The InChIKey is RPLWICIYDROUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H49FO7.C34H45FO7.C33H43FO7.C31H39FO7.C30H37FO7.C28H33FO7/c1-4-5-6-7-8-9-10-11-12-13-20-40-34-19-17-30(23-32(34)37)29-16-18-33(42-24-28-25-43-36(39)44-26-28)31(22-29)15-14-21-41-35(38)27(2)3;1-4-5-6-7-8-9-10-11-18-38-32-17-15-28(21-30(32)35)27-14-16-31(40-22-26-23-41-34(37)42-24-26)29(20-27)13-12-19-39-33(36)25(2)3;1-4-5-6-7-8-9-10-17-37-31-16-14-27(20-29(31)34)26-13-15-30(39-21-25-22-40-33(36)41-23-25)28(19-26)12-11-18-38-32(35)24(2)3;1-4-5-6-7-8-15-35-29-14-12-25(18-27(29)32)24-11-13-28(37-19-23-20-38-31(34)39-21-23)26(17-24)10-9-16-36-30(33)22(2)3;1-4-5-6-7-14-34-28-13-11-24(17-26(28)31)23-10-12-27(36-18-22-19-37-30(33)38-20-22)25(16-23)9-8-15-35-29(32)21(2)3;1-4-5-12-32-26-11-9-22(15-24(26)29)21-8-10-25(34-16-20-17-35-28(31)36-18-20)23(14-21)7-6-13-33-27(30)19(2)3/h16-19,22-23,28H,2,4-15,20-21,24-26H2,1,3H3;14-17,20-21,26H,2,4-13,18-19,22-24H2,1,3H3;13-16,19-20,25H,2,4-12,17-18,21-23H2,1,3H3;11-14,17-18,23H,2,4-10,15-16,19-21H2,1,3H3;10-13,16-17,22H,2,4-9,14-15,18-20H2,1,3H3;8-11,14-15,20H,2,4-7,12-13,16-18H2,1,3H3.
What are the key properties of 3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate?
3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate has a molecular weight of 3340.03 g/mol, XLogP of 44.67, 102 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-butoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-decoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(4-dodecoxy-3-fluorophenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-heptoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-hexoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate;3-[5-(3-fluoro-4-nonoxyphenyl)-2-[(2-oxo-1,3-dioxan-5-yl)methoxy]phenyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 160691563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).