2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate

C31H48O4 — CID 134193678

IUPAC2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cc(C2CCC(CCCCC)CC2)ccc1C1CCC(CCCO)CC1
InChIInChI=1S/C31H48O4/c1-3-5-6-8-24-10-14-26(15-11-24)28-18-19-29(27-16-12-25(13-17-27)9-7-20-32)30(23-28)34-21-22-35-31(33)4-2/h4,18-19,23-27,32H,2-3,5-17,20-22H2,1H3
InChIKeyCCPPQUNFERLFCB-UHFFFAOYSA-N
MW484.72 g/mol
LogP7.70
Rot. Bonds14

About 2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate

2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate (PubChem CID 134193678) has the molecular formula C31H48O4 and a molecular weight of 484.72 g/mol. Its IUPAC name is 2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate
PubChem CID134193678
Molecular FormulaC31H48O4
Molecular Weight484.72 g/mol
Exact Mass484.36
IUPAC Name2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cc(C2CCC(CCCCC)CC2)ccc1C1CCC(CCCO)CC1
InChIInChI=1S/C31H48O4/c1-3-5-6-8-24-10-14-26(15-11-24)28-18-19-29(27-16-12-25(13-17-27)9-7-20-32)30(23-28)34-21-22-35-31(33)4-2/h4,18-19,23-27,32H,2-3,5-17,20-22H2,1H3
InChIKeyCCPPQUNFERLFCB-UHFFFAOYSA-N
XLogP7.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.72
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl 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

3-[4-[4-(4-ethylcyclohexyl)-2-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-ol
CID 145122285
6-[4-(4-pentylcyclohexyl)phenoxy]hexyl prop-2-enoate
CID 21036152
2-[2-(3-hydroxypropyl)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134193181
2-(5-hydroxypentoxy)-5-(4-pentylcyclohexyl)benzaldehyde
CID 169019412
[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl] prop-2-enoate
CID 142707546
[1-methyl-6-(4-pentylcyclohexyl)naphthalen-2-yl] prop-2-enoate
CID 147665038
6-[2,6-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenoxy]hexyl prop-2-enoate
CID 59937239
3-[2-(2-hydroxyethoxy)-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]propyl 2-methylprop-2-enoate
CID 134193424
2-[4-(4-pentylcyclohexyl)phenoxy]ethyl propanoate
CID 166645664
2-[2-(2-hydroxyethoxy)-5-(4-propylcyclohexyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134193064
2-[2-(4-hydroxybutyl)-5-[2-methyl-4-(4-pentylcyclohexyl)phenyl]-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 134193629
[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[4-(4-pentylcyclohexyl)phenyl]benzoate
CID 156734561

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate (CID 134193678) is 2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1cc(C2CCC(CCCCC)CC2)ccc1C1CCC(CCCO)CC1.
What is the InChIKey of 2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate?
The InChIKey is CCPPQUNFERLFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48O4/c1-3-5-6-8-24-10-14-26(15-11-24)28-18-19-29(27-16-12-25(13-17-27)9-7-20-32)30(23-28)34-21-22-35-31(33)4-2/h4,18-19,23-27,32H,2-3,5-17,20-22H2,1H3.
What are the key properties of 2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate?
2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate has a molecular weight of 484.72 g/mol, XLogP of 7.70, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-hydroxypropyl)cyclohexyl]-5-(4-pentylcyclohexyl)phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 134193678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).