[5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate

C23H32O3 — CID 134200800

IUPAC[5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1cc(C2CCC(C3CCCCC3)CC2)ccc1CO
InChIInChI=1S/C23H32O3/c1-2-23(25)26-16-22-14-20(12-13-21(22)15-24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h2,12-14,17-19,24H,1,3-11,15-16H2
InChIKeyMQUYIWYFLGJFBE-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.26
Rot. Bonds6

About [5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate

[5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate (PubChem CID 134200800) has the molecular formula C23H32O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is [5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate
PubChem CID134200800
Molecular FormulaC23H32O3
Molecular Weight356.51 g/mol
Exact Mass356.24
IUPAC Name[5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1cc(C2CCC(C3CCCCC3)CC2)ccc1CO
InChIInChI=1S/C23H32O3/c1-2-23(25)26-16-22-14-20(12-13-21(22)15-24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h2,12-14,17-19,24H,1,3-11,15-16H2
InChIKeyMQUYIWYFLGJFBE-UHFFFAOYSA-N
XLogP5.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-cyclohexylcyclohexyl)-2-(2-methylprop-2-enoyloxymethyl)phenyl]propanoic acid
CID 134200855
2-[5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(hydroxymethyl)phenyl]ethyl 2-methylprop-2-enoate
CID 134200663
3-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate
CID 59360278
[5-[2-(4-cyclohexylcyclohexyl)ethyl]-2-[4-(3-hydroxypropyl)phenyl]phenyl]methyl prop-2-enoate
CID 134201084
3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
CID 70268228
2-[2-(4-cyclohexylphenyl)-5-(2-hydroxyethyl)phenoxy]ethyl prop-2-enoate
CID 134200843
2-[2-(2-hydroxyethyl)-5-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl prop-2-enoate
CID 145122016
2-[2-(3-hydroxypropyl)-5-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl prop-2-enoate
CID 145121993
cyclohexyl 4-(cyclohexanecarbonyl)-3-(prop-2-enoyloxymethyl)benzoate
CID 58162427
4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid
CID 131973799
[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-(4-methylphenyl)phenyl]methyl prop-2-enoate
CID 145121937
[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-phenylphenyl]methyl prop-2-enoate
CID 134200547

Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate?
The IUPAC name of [5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate (CID 134200800) is [5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate.
What is the SMILES notation for [5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate?
The canonical SMILES for [5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate is C=CC(=O)OCc1cc(C2CCC(C3CCCCC3)CC2)ccc1CO.
What is the InChIKey of [5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate?
The InChIKey is MQUYIWYFLGJFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O3/c1-2-23(25)26-16-22-14-20(12-13-21(22)15-24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h2,12-14,17-19,24H,1,3-11,15-16H2.
What are the key properties of [5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate?
[5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate has a molecular weight of 356.51 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-cyclohexylcyclohexyl)-2-(hydroxymethyl)phenyl]methyl prop-2-enoate is sourced from PubChem (CID 134200800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).