4-(2-chlorophenyl)-2-methylphenol

C13H11ClO — CID 53218875

IUPAC4-(2-chlorophenyl)-2-methylphenol
SMILESCc1cc(-c2ccccc2Cl)ccc1O
InChIInChI=1S/C13H11ClO/c1-9-8-10(6-7-13(9)15)11-4-2-3-5-12(11)14/h2-8,15H,1H3
InChIKeyQQPAOTGGEBFQEE-UHFFFAOYSA-N
MW218.68 g/mol
LogP4.02
Rot. Bonds1

About 4-(2-chlorophenyl)-2-methylphenol

4-(2-chlorophenyl)-2-methylphenol (PubChem CID 53218875) has the molecular formula C13H11ClO and a molecular weight of 218.68 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-methylphenol.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-methylphenol
PubChem CID53218875
Molecular FormulaC13H11ClO
Molecular Weight218.68 g/mol
Exact Mass218.05
IUPAC Name4-(2-chlorophenyl)-2-methylphenol
SMILESCc1cc(-c2ccccc2Cl)ccc1O
InChIInChI=1S/C13H11ClO/c1-9-8-10(6-7-13(9)15)11-4-2-3-5-12(11)14/h2-8,15H,1H3
InChIKeyQQPAOTGGEBFQEE-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-(2-chlorophenyl)-2-methylphenol?
The IUPAC name of 4-(2-chlorophenyl)-2-methylphenol (CID 53218875) is 4-(2-chlorophenyl)-2-methylphenol.
What is the SMILES notation for 4-(2-chlorophenyl)-2-methylphenol?
The canonical SMILES for 4-(2-chlorophenyl)-2-methylphenol is Cc1cc(-c2ccccc2Cl)ccc1O.
What is the InChIKey of 4-(2-chlorophenyl)-2-methylphenol?
The InChIKey is QQPAOTGGEBFQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO/c1-9-8-10(6-7-13(9)15)11-4-2-3-5-12(11)14/h2-8,15H,1H3.
What are the key properties of 4-(2-chlorophenyl)-2-methylphenol?
4-(2-chlorophenyl)-2-methylphenol 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-(2-chlorophenyl)-2-methylphenol is sourced from PubChem (CID 53218875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).