5-(3,4-dichlorophenyl)-2-methylphenol

C13H10Cl2O — CID 53219084

IUPAC5-(3,4-dichlorophenyl)-2-methylphenol
SMILESCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1O
InChIInChI=1S/C13H10Cl2O/c1-8-2-3-10(7-13(8)16)9-4-5-11(14)12(15)6-9/h2-7,16H,1H3
InChIKeyBJLXCJWOSQLZFE-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.67
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-2-methylphenol

5-(3,4-dichlorophenyl)-2-methylphenol (PubChem CID 53219084) has the molecular formula C13H10Cl2O and a molecular weight of 253.13 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-2-methylphenol.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-2-methylphenol
PubChem CID53219084
Molecular FormulaC13H10Cl2O
Molecular Weight253.13 g/mol
Exact Mass252.01
IUPAC Name5-(3,4-dichlorophenyl)-2-methylphenol
SMILESCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1O
InChIInChI=1S/C13H10Cl2O/c1-8-2-3-10(7-13(8)16)9-4-5-11(14)12(15)6-9/h2-7,16H,1H3
InChIKeyBJLXCJWOSQLZFE-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

5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 22942672
2-chloro-4-(4-chloro-3-methylphenyl)phenol
CID 53221359
2-methyl-5-pyridin-4-ylphenol
CID 46316792
4-(3,4-dichlorophenyl)phenol
CID 6452909
benzene-1,4-diamine;2,5-dimethylbenzene-1,4-diol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 158570472
2-(3-hydroxy-4-methylphenyl)-4,5-dimethylphenol
CID 101299255
5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane
CID 142442120
2-chloro-5-(6-methyl-3-pyridinyl)phenol
CID 83131135
5-(4-ethylphenyl)-2-methylphenol
CID 53218816
5-(2-hydroxyphenyl)-2-methylphenol
CID 53218780
5-(6-methoxypyridazin-4-yl)-2-methylphenol
CID 155407230
4-(4-chloro-3-methylphenyl)-2-fluorophenol
CID 53219486

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-2-methylphenol?
The IUPAC name of 5-(3,4-dichlorophenyl)-2-methylphenol (CID 53219084) is 5-(3,4-dichlorophenyl)-2-methylphenol.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-2-methylphenol?
The canonical SMILES for 5-(3,4-dichlorophenyl)-2-methylphenol is Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1O.
What is the InChIKey of 5-(3,4-dichlorophenyl)-2-methylphenol?
The InChIKey is BJLXCJWOSQLZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O/c1-8-2-3-10(7-13(8)16)9-4-5-11(14)12(15)6-9/h2-7,16H,1H3.
What are the key properties of 5-(3,4-dichlorophenyl)-2-methylphenol?
5-(3,4-dichlorophenyl)-2-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 5-(3,4-dichlorophenyl)-2-methylphenol is sourced from PubChem (CID 53219084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).