1,1'-biphenyl;2-chlorophenol

C18H15ClO — CID 174555563

IUPAC1,1'-biphenyl;2-chlorophenol
SMILESOc1ccccc1Cl.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H5ClO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-5-3-1-2-4-6(5)8/h1-10H;1-4,8H
InChIKeyDUTMKSJNORWERC-UHFFFAOYSA-N
MW282.77 g/mol
LogP5.40
Rot. Bonds1

About 1,1'-biphenyl;2-chlorophenol

1,1'-biphenyl;2-chlorophenol (PubChem CID 174555563) has the molecular formula C18H15ClO and a molecular weight of 282.77 g/mol. Its IUPAC name is 1,1'-biphenyl;2-chlorophenol.

Molecular Properties

Compound Name1,1'-biphenyl;2-chlorophenol
PubChem CID174555563
Molecular FormulaC18H15ClO
Molecular Weight282.77 g/mol
Exact Mass282.08
IUPAC Name1,1'-biphenyl;2-chlorophenol
SMILESOc1ccccc1Cl.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C6H5ClO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-5-3-1-2-4-6(5)8/h1-10H;1-4,8H
InChIKeyDUTMKSJNORWERC-UHFFFAOYSA-N
XLogP5.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.77
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1'-biphenyl;2-chlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2-chlorophenol?
The IUPAC name of 1,1'-biphenyl;2-chlorophenol (CID 174555563) is 1,1'-biphenyl;2-chlorophenol.
What is the SMILES notation for 1,1'-biphenyl;2-chlorophenol?
The canonical SMILES for 1,1'-biphenyl;2-chlorophenol is Oc1ccccc1Cl.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2-chlorophenol?
The InChIKey is DUTMKSJNORWERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C6H5ClO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;7-5-3-1-2-4-6(5)8/h1-10H;1-4,8H.
What are the key properties of 1,1'-biphenyl;2-chlorophenol?
1,1'-biphenyl;2-chlorophenol has a molecular weight of 282.77 g/mol, XLogP of 5.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2-chlorophenol is sourced from PubChem (CID 174555563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).