3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate

C39H38O6 — CID 23527484

IUPAC3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(-c2ccc3c(c2)C(CC)c2cc(-c4ccc(OC(CC)OC(=O)C=C)cc4)ccc2-3)cc1
InChIInChI=1S/C39H38O6/c1-5-32-35-24-28(26-10-16-30(17-11-26)42-22-9-23-43-37(40)6-2)14-20-33(35)34-21-15-29(25-36(32)34)27-12-18-31(19-13-27)44-39(8-4)45-38(41)7-3/h6-7,10-21,24-25,32,39H,2-3,5,8-9,22-23H2,1,4H3
InChIKeyZTJNGAISURCFLN-UHFFFAOYSA-N
MW602.73 g/mol
LogP8.89
Rot. Bonds14

About 3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate

3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate (PubChem CID 23527484) has the molecular formula C39H38O6 and a molecular weight of 602.73 g/mol. Its IUPAC name is 3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate
PubChem CID23527484
Molecular FormulaC39H38O6
Molecular Weight602.73 g/mol
Exact Mass602.27
IUPAC Name3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(-c2ccc3c(c2)C(CC)c2cc(-c4ccc(OC(CC)OC(=O)C=C)cc4)ccc2-3)cc1
InChIInChI=1S/C39H38O6/c1-5-32-35-24-28(26-10-16-30(17-11-26)42-22-9-23-43-37(40)6-2)14-20-33(35)34-21-15-29(25-36(32)34)27-12-18-31(19-13-27)44-39(8-4)45-38(41)7-3/h6-7,10-21,24-25,32,39H,2-3,5,8-9,22-23H2,1,4H3
InChIKeyZTJNGAISURCFLN-UHFFFAOYSA-N
XLogP8.89
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.73
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl 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

6-[4-[9,9-dimethyl-7-[4-(1-prop-2-enoyloxyhexoxy)phenyl]fluoren-2-yl]phenoxy]hexyl prop-2-enoate;3-[4-[9,9-dimethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]fluoren-2-yl]phenoxy]propyl prop-2-enoate;6-[4-[9-methyl-7-[4-(1-prop-2-enoyloxyhexoxy)phenyl]-9H-fluoren-2-yl]phenoxy]hexyl prop-2-enoate;5-[4-[9-methyl-7-[4-(1-prop-2-enoyloxypentoxy)phenyl]-9H-fluoren-2-yl]phenoxy]pentyl prop-2-enoate;3-[4-[9-methyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate;6-[4-[7-[4-(1-prop-2-enoyloxyhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]hexyl prop-2-enoate;3-[4-[7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenoxy]propyl prop-2-enoate
CID 159001747
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
6-[4-[4-(4-prop-2-enoyloxyhexoxy)phenyl]phenoxy]hexan-3-yl prop-2-enoate
CID 90003140
2-[4-(1-ethenoxypropoxy)phenyl]-7-[4-(3-ethenoxypropoxy)phenyl]-9-methyl-9H-fluorene
CID 23527554
6-[4-[3-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 59459924
3-[4-(4-octan-2-yloxyphenyl)phenoxy]propyl prop-2-enoate
CID 20566704
3-[4-(4-hydroxyphenyl)phenoxy]propyl prop-2-enoate
CID 144554090
[9-ethyl-7-[4-(prop-2-enoyloxymethoxy)benzoyl]oxy-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 59768891
6-[4-[3-fluoro-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 59768932
6-[4-[4-[3-methyl-4-(4-methylphenyl)phenyl]cyclohexyl]phenoxy]hexyl prop-2-enoate
CID 144623901
3-[3-[4-[2-[4-[3-(3-prop-2-enoyloxypropoxy)propoxy]phenyl]propan-2-yl]phenoxy]propoxy]propyl prop-2-enoate
CID 57128581
[9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 21036156

Frequently Asked Questions

What is the IUPAC name of 3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate?
The IUPAC name of 3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate (CID 23527484) is 3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate.
What is the SMILES notation for 3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate?
The canonical SMILES for 3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate is C=CC(=O)OCCCOc1ccc(-c2ccc3c(c2)C(CC)c2cc(-c4ccc(OC(CC)OC(=O)C=C)cc4)ccc2-3)cc1.
What is the InChIKey of 3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate?
The InChIKey is ZTJNGAISURCFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38O6/c1-5-32-35-24-28(26-10-16-30(17-11-26)42-22-9-23-43-37(40)6-2)14-20-33(35)34-21-15-29(25-36(32)34)27-12-18-31(19-13-27)44-39(8-4)45-38(41)7-3/h6-7,10-21,24-25,32,39H,2-3,5,8-9,22-23H2,1,4H3.
What are the key properties of 3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate?
3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate has a molecular weight of 602.73 g/mol, XLogP of 8.89, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9-ethyl-7-[4-(1-prop-2-enoyloxypropoxy)phenyl]-9H-fluoren-2-yl]phenoxy]propyl prop-2-enoate is sourced from PubChem (CID 23527484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).