2-(2,4-dichlorophenyl)-4-methylphenol

C13H10Cl2O — CID 83130752

IUPAC2-(2,4-dichlorophenyl)-4-methylphenol
SMILESCc1ccc(O)c(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H10Cl2O/c1-8-2-5-13(16)11(6-8)10-4-3-9(14)7-12(10)15/h2-7,16H,1H3
InChIKeyHKWDKQLAWMGRLI-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.67
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-4-methylphenol

2-(2,4-dichlorophenyl)-4-methylphenol (PubChem CID 83130752) has the molecular formula C13H10Cl2O and a molecular weight of 253.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-methylphenol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-methylphenol
PubChem CID83130752
Molecular FormulaC13H10Cl2O
Molecular Weight253.13 g/mol
Exact Mass252.01
IUPAC Name2-(2,4-dichlorophenyl)-4-methylphenol
SMILESCc1ccc(O)c(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H10Cl2O/c1-8-2-5-13(16)11(6-8)10-4-3-9(14)7-12(10)15/h2-7,16H,1H3
InChIKeyHKWDKQLAWMGRLI-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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Related Compounds

4-chloro-2-(2,5-dimethylphenyl)phenol
CID 83130826
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
2-(4-bromo-2-chlorophenyl)-4-chlorophenol
CID 142753932
2-(3-chloro-2-methylphenyl)-4-methylphenol
CID 159941781
2-(2,5-difluorophenyl)-4-methylphenol
CID 83129807
hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol
CID 159043640
2-(2-hydroxyphenyl)-4-methylphenol
CID 10035680
2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol
CID 101179885
5-chloro-2-(2,4-dichlorophenyl)phenol;ethoxyethane
CID 67248673
4-chloro-2-(3-methylphenyl)phenol
CID 83129691
4-chloro-2-(4-chloro-2-fluorophenyl)phenol
CID 83130792
2-chloro-5-(2-chloro-4-methylphenyl)phenol
CID 53221345

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-methylphenol?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-methylphenol (CID 83130752) is 2-(2,4-dichlorophenyl)-4-methylphenol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-methylphenol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-methylphenol is Cc1ccc(O)c(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-methylphenol?
The InChIKey is HKWDKQLAWMGRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O/c1-8-2-5-13(16)11(6-8)10-4-3-9(14)7-12(10)15/h2-7,16H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-4-methylphenol?
2-(2,4-dichlorophenyl)-4-methylphenol 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-(2,4-dichlorophenyl)-4-methylphenol is sourced from PubChem (CID 83130752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).