2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

C44H50O9 — CID 146668979

IUPAC2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate
SMILESC=CC(=O)OC1CCC(C2CCC(c3cc(OCCOC(=O)C(=C)CO)ccc3-c3ccc(-c4ccc(OC(=O)C(=C)COC)cc4)cc3)CC2)CC1
InChIInChI=1S/C44H50O9/c1-5-42(46)52-37-18-14-33(15-19-37)32-8-12-36(13-9-32)41-26-39(50-24-25-51-43(47)29(2)27-45)22-23-40(41)35-10-6-31(7-11-35)34-16-20-38(21-17-34)53-44(48)30(3)28-49-4/h5-7,10-11,16-17,20-23,26,32-33,36-37,45H,1-3,8-9,12-15,18-19,24-25,27-28H2,4H3
InChIKeyFUSFHKKJRWXOCL-UHFFFAOYSA-N
MW722.87 g/mol
LogP8.16
Rot. Bonds16

About 2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate

2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate (PubChem CID 146668979) has the molecular formula C44H50O9 and a molecular weight of 722.87 g/mol. Its IUPAC name is 2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate.

Molecular Properties

Compound Name2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate
PubChem CID146668979
Molecular FormulaC44H50O9
Molecular Weight722.87 g/mol
Exact Mass722.35
IUPAC Name2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate
SMILESC=CC(=O)OC1CCC(C2CCC(c3cc(OCCOC(=O)C(=C)CO)ccc3-c3ccc(-c4ccc(OC(=O)C(=C)COC)cc4)cc3)CC2)CC1
InChIInChI=1S/C44H50O9/c1-5-42(46)52-37-18-14-33(15-19-37)32-8-12-36(13-9-32)41-26-39(50-24-25-51-43(47)29(2)27-45)22-23-40(41)35-10-6-31(7-11-35)34-16-20-38(21-17-34)53-44(48)30(3)28-49-4/h5-7,10-11,16-17,20-23,26,32-33,36-37,45H,1-3,8-9,12-15,18-19,24-25,27-28H2,4H3
InChIKeyFUSFHKKJRWXOCL-UHFFFAOYSA-N
XLogP8.16
TPSA117.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.87
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-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

[4-[2,5-bis[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]phenyl]phenyl]cyclohexyl] 2-(hydroxymethyl)prop-2-enoate
CID 146668868
[4-[5-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]phenyl]cyclohexyl] 2-(hydroxymethyl)prop-2-enoate
CID 146668927
2-[4-[2-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethyl]cyclohexyl]-4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate
CID 146668933
2-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-2-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
CID 146668879
[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-2-(4-pentylcyclohexyl)phenyl]phenyl]phenyl] 2-(hydroxymethyl)prop-2-enoate
CID 146668165
2-[3-fluoro-4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
CID 155139350
3-[3-(4-butoxycyclohexyl)-4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl]propyl 2-(hydroxymethyl)prop-2-enoate
CID 146668916
2-[4-[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]-3-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
CID 146668957
2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]phenoxy]ethyl 2-(methoxymethyl)prop-2-enoate
CID 149008109
4-[4-[4-[4-(2-methylprop-2-enoyloxy)-2-(4-pentylcyclohexyl)phenyl]phenyl]phenoxy]butyl 2-(methoxymethyl)prop-2-enoate
CID 146668143
[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]-3-prop-2-enoyloxyphenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 155139427
1-O-[2-[4-[4-(3-hydroxy-2-methylpropanoyl)oxyphenyl]-2-[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cyclohexyl]phenoxy]ethyl] 6-O-[2-[4-[4-[2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[4-(3-methoxy-2-methylpropanoyl)oxyphenyl]phenyl]cyclohexyl]cyclohexyl]ethyl] (2E,4Z)-2,5-bis(methoxymethyl)hexa-2,4-dienedioate
CID 146668035

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate?
The IUPAC name of 2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate (CID 146668979) is 2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate.
What is the SMILES notation for 2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate?
The canonical SMILES for 2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate is C=CC(=O)OC1CCC(C2CCC(c3cc(OCCOC(=O)C(=C)CO)ccc3-c3ccc(-c4ccc(OC(=O)C(=C)COC)cc4)cc3)CC2)CC1.
What is the InChIKey of 2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate?
The InChIKey is FUSFHKKJRWXOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50O9/c1-5-42(46)52-37-18-14-33(15-19-37)32-8-12-36(13-9-32)41-26-39(50-24-25-51-43(47)29(2)27-45)22-23-40(41)35-10-6-31(7-11-35)34-16-20-38(21-17-34)53-44(48)30(3)28-49-4/h5-7,10-11,16-17,20-23,26,32-33,36-37,45H,1-3,8-9,12-15,18-19,24-25,27-28H2,4H3.
What are the key properties of 2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate?
2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate has a molecular weight of 722.87 g/mol, XLogP of 8.16, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-[2-(methoxymethyl)prop-2-enoyloxy]phenyl]phenyl]-3-[4-(4-prop-2-enoyloxycyclohexyl)cyclohexyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate is sourced from PubChem (CID 146668979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).