[4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate

C24H32O4 — CID 167706278

IUPAC[4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
SMILESC=CC(=O)OCc1ccc(OC(=O)C2CCC(C3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C24H32O4/c1-3-23(25)27-16-18-6-14-22(15-7-18)28-24(26)21-12-10-20(11-13-21)19-8-4-17(2)5-9-19/h3,6-7,14-15,17,19-21H,1,4-5,8-13,16H2,2H3
InChIKeyMAAFHMKEPAXZPX-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.45
Rot. Bonds6

About [4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate

[4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate (PubChem CID 167706278) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is [4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name[4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
PubChem CID167706278
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name[4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
SMILESC=CC(=O)OCc1ccc(OC(=O)C2CCC(C3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C24H32O4/c1-3-23(25)27-16-18-6-14-22(15-7-18)28-24(26)21-12-10-20(11-13-21)19-8-4-17(2)5-9-19/h3,6-7,14-15,17,19-21H,1,4-5,8-13,16H2,2H3
InChIKeyMAAFHMKEPAXZPX-UHFFFAOYSA-N
XLogP5.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate
CID 134310367
cyclopentane;[4-[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethyl)phenyl] cyclopentanecarboxylate
CID 91610995
[4-(2-methylprop-2-enoyloxymethyl)phenyl] 4-[2-oxo-2-[4-(prop-2-enoyloxymethyl)phenoxy]ethyl]cyclohexane-1-carboxylate
CID 58471421
ethane;(4-prop-2-enoyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 142301465
ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
1-O-(4-hexylphenyl) 4-O-[4-(6-prop-2-enoyloxyhexyl)phenyl] cyclohexane-1,4-dicarboxylate
CID 59386500
bis[4-(acetyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen
CID 159835979
4-bromophenol;3-chloropropanoic acid;ethane;4-(hydroxymethyl)phenol;(4-hydroxyphenyl)methyl 3-chloropropanoate;4-(3-hydroxyprop-1-ynyl)phenol;methane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid;[4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;prop-2-yn-1-ol
CID 167706276
4-(4-prop-2-enoyloxyphenoxy)carbonylcyclohexane-1-carboxylic acid
CID 129265995
1-O-(4-methylphenyl) 4-O-[4-[2-[4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoyl]oxyethyl]phenyl] cyclohexane-1,4-dicarboxylate
CID 162495804
[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 158900072
4-[4-(prop-2-enoyloxymethoxy)phenoxy]carbonylcyclohexane-1-carboxylic acid
CID 131973726

Frequently Asked Questions

What is the IUPAC name of [4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate?
The IUPAC name of [4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate (CID 167706278) is [4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate.
What is the SMILES notation for [4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate?
The canonical SMILES for [4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate is C=CC(=O)OCc1ccc(OC(=O)C2CCC(C3CCC(C)CC3)CC2)cc1.
What is the InChIKey of [4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate?
The InChIKey is MAAFHMKEPAXZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O4/c1-3-23(25)27-16-18-6-14-22(15-7-18)28-24(26)21-12-10-20(11-13-21)19-8-4-17(2)5-9-19/h3,6-7,14-15,17,19-21H,1,4-5,8-13,16H2,2H3.
What are the key properties of [4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate?
[4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate has a molecular weight of 384.52 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(prop-2-enoyloxymethyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 167706278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).