1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone

C14H17ClO2 — CID 66322654

IUPAC1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone
SMILESO=C(COCC1CCCC1)c1ccccc1Cl
InChIInChI=1S/C14H17ClO2/c15-13-8-4-3-7-12(13)14(16)10-17-9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyAYTCHRHMCMPSQN-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.73
Rot. Bonds5

About 1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone

1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone (PubChem CID 66322654) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone
PubChem CID66322654
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone
SMILESO=C(COCC1CCCC1)c1ccccc1Cl
InChIInChI=1S/C14H17ClO2/c15-13-8-4-3-7-12(13)14(16)10-17-9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyAYTCHRHMCMPSQN-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone (CID 66322654) is 1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone is O=C(COCC1CCCC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone?
The InChIKey is AYTCHRHMCMPSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c15-13-8-4-3-7-12(13)14(16)10-17-9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2.
What are the key properties of 1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone?
1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone has a molecular weight of 252.74 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone is sourced from PubChem (CID 66322654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).