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

C13H10Cl2O — CID 53221359

IUPAC2-chloro-4-(4-chloro-3-methylphenyl)phenol
SMILESCc1cc(-c2ccc(O)c(Cl)c2)ccc1Cl
InChIInChI=1S/C13H10Cl2O/c1-8-6-9(2-4-11(8)14)10-3-5-13(16)12(15)7-10/h2-7,16H,1H3
InChIKeyOMCGADLIOOHUPD-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.67
Rot. Bonds1

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

2-chloro-4-(4-chloro-3-methylphenyl)phenol (PubChem CID 53221359) has the molecular formula C13H10Cl2O and a molecular weight of 253.13 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-3-methylphenyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-3-methylphenyl)phenol
PubChem CID53221359
Molecular FormulaC13H10Cl2O
Molecular Weight253.13 g/mol
Exact Mass252.01
IUPAC Name2-chloro-4-(4-chloro-3-methylphenyl)phenol
SMILESCc1cc(-c2ccc(O)c(Cl)c2)ccc1Cl
InChIInChI=1S/C13H10Cl2O/c1-8-6-9(2-4-11(8)14)10-3-5-13(16)12(15)7-10/h2-7,16H,1H3
InChIKeyOMCGADLIOOHUPD-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-3-methylphenyl)phenol?
The IUPAC name of 2-chloro-4-(4-chloro-3-methylphenyl)phenol (CID 53221359) is 2-chloro-4-(4-chloro-3-methylphenyl)phenol.
What is the SMILES notation for 2-chloro-4-(4-chloro-3-methylphenyl)phenol?
The canonical SMILES for 2-chloro-4-(4-chloro-3-methylphenyl)phenol is Cc1cc(-c2ccc(O)c(Cl)c2)ccc1Cl.
What is the InChIKey of 2-chloro-4-(4-chloro-3-methylphenyl)phenol?
The InChIKey is OMCGADLIOOHUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O/c1-8-6-9(2-4-11(8)14)10-3-5-13(16)12(15)7-10/h2-7,16H,1H3.
What are the key properties of 2-chloro-4-(4-chloro-3-methylphenyl)phenol?
2-chloro-4-(4-chloro-3-methylphenyl)phenol has a molecular weight of 253.13 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-3-methylphenyl)phenol is sourced from PubChem (CID 53221359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).