4-chloro-2-(3-methylphenyl)phenol

C13H11ClO — CID 83129691

IUPAC4-chloro-2-(3-methylphenyl)phenol
SMILESCc1cccc(-c2cc(Cl)ccc2O)c1
InChIInChI=1S/C13H11ClO/c1-9-3-2-4-10(7-9)12-8-11(14)5-6-13(12)15/h2-8,15H,1H3
InChIKeyLNMMMGNOLFXWBN-UHFFFAOYSA-N
MW218.68 g/mol
LogP4.02
Rot. Bonds1

About 4-chloro-2-(3-methylphenyl)phenol

4-chloro-2-(3-methylphenyl)phenol (PubChem CID 83129691) has the molecular formula C13H11ClO and a molecular weight of 218.68 g/mol. Its IUPAC name is 4-chloro-2-(3-methylphenyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(3-methylphenyl)phenol
PubChem CID83129691
Molecular FormulaC13H11ClO
Molecular Weight218.68 g/mol
Exact Mass218.05
IUPAC Name4-chloro-2-(3-methylphenyl)phenol
SMILESCc1cccc(-c2cc(Cl)ccc2O)c1
InChIInChI=1S/C13H11ClO/c1-9-3-2-4-10(7-9)12-8-11(14)5-6-13(12)15/h2-8,15H,1H3
InChIKeyLNMMMGNOLFXWBN-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methylphenyl)phenol?
The IUPAC name of 4-chloro-2-(3-methylphenyl)phenol (CID 83129691) is 4-chloro-2-(3-methylphenyl)phenol.
What is the SMILES notation for 4-chloro-2-(3-methylphenyl)phenol?
The canonical SMILES for 4-chloro-2-(3-methylphenyl)phenol is Cc1cccc(-c2cc(Cl)ccc2O)c1.
What is the InChIKey of 4-chloro-2-(3-methylphenyl)phenol?
The InChIKey is LNMMMGNOLFXWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO/c1-9-3-2-4-10(7-9)12-8-11(14)5-6-13(12)15/h2-8,15H,1H3.
What are the key properties of 4-chloro-2-(3-methylphenyl)phenol?
4-chloro-2-(3-methylphenyl)phenol has a molecular weight of 218.68 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methylphenyl)phenol is sourced from PubChem (CID 83129691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).