[2-(2-chlorocyclohexyl)phenyl] propanoate

C15H19ClO2 — CID 70448783

IUPAC[2-(2-chlorocyclohexyl)phenyl] propanoate
SMILESCCC(=O)Oc1ccccc1C1CCCCC1Cl
InChIInChI=1S/C15H19ClO2/c1-2-15(17)18-14-10-6-4-8-12(14)11-7-3-5-9-13(11)16/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3
InChIKeyZIWJFPHJTBZVLO-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.27
Rot. Bonds3

About [2-(2-chlorocyclohexyl)phenyl] propanoate

[2-(2-chlorocyclohexyl)phenyl] propanoate (PubChem CID 70448783) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is [2-(2-chlorocyclohexyl)phenyl] propanoate.

Molecular Properties

Compound Name[2-(2-chlorocyclohexyl)phenyl] propanoate
PubChem CID70448783
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name[2-(2-chlorocyclohexyl)phenyl] propanoate
SMILESCCC(=O)Oc1ccccc1C1CCCCC1Cl
InChIInChI=1S/C15H19ClO2/c1-2-15(17)18-14-10-6-4-8-12(14)11-7-3-5-9-13(11)16/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3
InChIKeyZIWJFPHJTBZVLO-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene
CID 101108843
1-chloro-2-(2-propoxyphenyl)cycloheptane
CID 104662441
2-propanoyloxybenzoate
CID 23200401
bis(2-cyclohexylphenyl) nonanedioate
CID 144725019
[(1R,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclohexyl] propanoate
CID 54035639
2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 81008651
[2-[(2-methylpropan-2-yl)oxy]phenyl] propanoate
CID 175303844
[(1S,2R)-2-(2-butoxyphenyl)cyclohexyl] hexanoate
CID 57282883
[(1R,2S)-2-(2-butan-2-yloxyphenyl)cyclohexyl] hexanoate
CID 54040919
[(1R,2S)-2-(2-butoxyphenyl)cyclohexyl] dodecanoate
CID 54319195
[2-(hydroxymethyl)phenyl] propanoate
CID 57284127
(2-cyclopentyl-3-methylsulfonylphenyl) propanoate
CID 57260614

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorocyclohexyl)phenyl] propanoate?
The IUPAC name of [2-(2-chlorocyclohexyl)phenyl] propanoate (CID 70448783) is [2-(2-chlorocyclohexyl)phenyl] propanoate.
What is the SMILES notation for [2-(2-chlorocyclohexyl)phenyl] propanoate?
The canonical SMILES for [2-(2-chlorocyclohexyl)phenyl] propanoate is CCC(=O)Oc1ccccc1C1CCCCC1Cl.
What is the InChIKey of [2-(2-chlorocyclohexyl)phenyl] propanoate?
The InChIKey is ZIWJFPHJTBZVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-2-15(17)18-14-10-6-4-8-12(14)11-7-3-5-9-13(11)16/h4,6,8,10-11,13H,2-3,5,7,9H2,1H3.
What are the key properties of [2-(2-chlorocyclohexyl)phenyl] propanoate?
[2-(2-chlorocyclohexyl)phenyl] propanoate has a molecular weight of 266.77 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorocyclohexyl)phenyl] propanoate is sourced from PubChem (CID 70448783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).