3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol

C12H12Cl2O — CID 107310355

IUPAC3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol
SMILESOC1C=C(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C12H12Cl2O/c13-11-3-1-2-9(12(11)14)6-8-4-5-10(15)7-8/h1-3,7,10,15H,4-6H2
InChIKeyOSKSFEHORIKTOO-UHFFFAOYSA-N
MW243.13 g/mol
LogP3.62
Rot. Bonds2

About 3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol

3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol (PubChem CID 107310355) has the molecular formula C12H12Cl2O and a molecular weight of 243.13 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol
PubChem CID107310355
Molecular FormulaC12H12Cl2O
Molecular Weight243.13 g/mol
Exact Mass242.03
IUPAC Name3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol
SMILESOC1C=C(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C12H12Cl2O/c13-11-3-1-2-9(12(11)14)6-8-4-5-10(15)7-8/h1-3,7,10,15H,4-6H2
InChIKeyOSKSFEHORIKTOO-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 53.62
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 3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol?
The IUPAC name of 3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol (CID 107310355) is 3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol is OC1C=C(Cc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol?
The InChIKey is OSKSFEHORIKTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O/c13-11-3-1-2-9(12(11)14)6-8-4-5-10(15)7-8/h1-3,7,10,15H,4-6H2.
What are the key properties of 3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol?
3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol has a molecular weight of 243.13 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 107310355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).