3-(3,4-dichlorophenyl)cyclopentan-1-ol

C11H12Cl2O — CID 64516023

IUPAC3-(3,4-dichlorophenyl)cyclopentan-1-ol
SMILESOC1CCC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H12Cl2O/c12-10-4-2-8(6-11(10)13)7-1-3-9(14)5-7/h2,4,6-7,9,14H,1,3,5H2
InChIKeyMSKKTXCYPIXPFB-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.62
Rot. Bonds1

About 3-(3,4-dichlorophenyl)cyclopentan-1-ol

3-(3,4-dichlorophenyl)cyclopentan-1-ol (PubChem CID 64516023) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)cyclopentan-1-ol
PubChem CID64516023
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name3-(3,4-dichlorophenyl)cyclopentan-1-ol
SMILESOC1CCC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C11H12Cl2O/c12-10-4-2-8(6-11(10)13)7-1-3-9(14)5-7/h2,4,6-7,9,14H,1,3,5H2
InChIKeyMSKKTXCYPIXPFB-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)cyclopentan-1-ol?
The IUPAC name of 3-(3,4-dichlorophenyl)cyclopentan-1-ol (CID 64516023) is 3-(3,4-dichlorophenyl)cyclopentan-1-ol.
What is the SMILES notation for 3-(3,4-dichlorophenyl)cyclopentan-1-ol?
The canonical SMILES for 3-(3,4-dichlorophenyl)cyclopentan-1-ol is OC1CCC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-(3,4-dichlorophenyl)cyclopentan-1-ol?
The InChIKey is MSKKTXCYPIXPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c12-10-4-2-8(6-11(10)13)7-1-3-9(14)5-7/h2,4,6-7,9,14H,1,3,5H2.
What are the key properties of 3-(3,4-dichlorophenyl)cyclopentan-1-ol?
3-(3,4-dichlorophenyl)cyclopentan-1-ol has a molecular weight of 231.12 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)cyclopentan-1-ol is sourced from PubChem (CID 64516023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).