2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol

C12H13ClO — CID 102519887

IUPAC2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol
SMILESOC1CCC=C1Cc1ccccc1Cl
InChIInChI=1S/C12H13ClO/c13-11-6-2-1-4-9(11)8-10-5-3-7-12(10)14/h1-2,4-6,12,14H,3,7-8H2
InChIKeyQPTYFGZCHNLZMX-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.96
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol

2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol (PubChem CID 102519887) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol
PubChem CID102519887
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol
SMILESOC1CCC=C1Cc1ccccc1Cl
InChIInChI=1S/C12H13ClO/c13-11-6-2-1-4-9(11)8-10-5-3-7-12(10)14/h1-2,4-6,12,14H,3,7-8H2
InChIKeyQPTYFGZCHNLZMX-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol?
The IUPAC name of 2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol (CID 102519887) is 2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol is OC1CCC=C1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol?
The InChIKey is QPTYFGZCHNLZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c13-11-6-2-1-4-9(11)8-10-5-3-7-12(10)14/h1-2,4-6,12,14H,3,7-8H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol?
2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol has a molecular weight of 208.69 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 102519887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).