[4-(4-methylcyclohexyl)phenyl] butanoate

C17H24O2 — CID 163951339

IUPAC[4-(4-methylcyclohexyl)phenyl] butanoate
SMILESCCCC(=O)Oc1ccc(C2CCC(C)CC2)cc1
InChIInChI=1S/C17H24O2/c1-3-4-17(18)19-16-11-9-15(10-12-16)14-7-5-13(2)6-8-14/h9-14H,3-8H2,1-2H3
InChIKeyRZOULYIZDYYOKK-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.69
Rot. Bonds4

About [4-(4-methylcyclohexyl)phenyl] butanoate

[4-(4-methylcyclohexyl)phenyl] butanoate (PubChem CID 163951339) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is [4-(4-methylcyclohexyl)phenyl] butanoate.

Molecular Properties

Compound Name[4-(4-methylcyclohexyl)phenyl] butanoate
PubChem CID163951339
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name[4-(4-methylcyclohexyl)phenyl] butanoate
SMILESCCCC(=O)Oc1ccc(C2CCC(C)CC2)cc1
InChIInChI=1S/C17H24O2/c1-3-4-17(18)19-16-11-9-15(10-12-16)14-7-5-13(2)6-8-14/h9-14H,3-8H2,1-2H3
InChIKeyRZOULYIZDYYOKK-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-ethylcyclohexyl)phenyl] butanoate
CID 172759625
[4-(4-methylcyclohexyl)phenyl] 4-butylcyclohexane-1-carboxylate
CID 23334749
[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 158900072
[4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate
CID 123393193
methane;[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 162132336
phenyl butanoate
CID 20354
[4-(4-aminophenyl)cyclohexyl] butanoate
CID 175259325
(2R,3S)-3-(4-butanoyloxyphenyl)oxirane-2-carboxylic acid
CID 57167315
[4-(4-methylcyclohexyl)phenyl] 4-prop-2-enylcyclohexane-1-carboxylate
CID 59499026
[6-(4-ethylcyclohexyl)naphthalen-2-yl] pentanoate
CID 20500683
(4-cyanophenyl) 4-(4-methylcyclohexyl)benzoate
CID 20640863
alumane;phenyl butanoate
CID 174579212

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylcyclohexyl)phenyl] butanoate?
The IUPAC name of [4-(4-methylcyclohexyl)phenyl] butanoate (CID 163951339) is [4-(4-methylcyclohexyl)phenyl] butanoate.
What is the SMILES notation for [4-(4-methylcyclohexyl)phenyl] butanoate?
The canonical SMILES for [4-(4-methylcyclohexyl)phenyl] butanoate is CCCC(=O)Oc1ccc(C2CCC(C)CC2)cc1.
What is the InChIKey of [4-(4-methylcyclohexyl)phenyl] butanoate?
The InChIKey is RZOULYIZDYYOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-4-17(18)19-16-11-9-15(10-12-16)14-7-5-13(2)6-8-14/h9-14H,3-8H2,1-2H3.
What are the key properties of [4-(4-methylcyclohexyl)phenyl] butanoate?
[4-(4-methylcyclohexyl)phenyl] butanoate has a molecular weight of 260.38 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylcyclohexyl)phenyl] butanoate is sourced from PubChem (CID 163951339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).