2,5-dichloro-4-(3-methylphenyl)phenol

C13H10Cl2O — CID 107663307

IUPAC2,5-dichloro-4-(3-methylphenyl)phenol
SMILESCc1cccc(-c2cc(Cl)c(O)cc2Cl)c1
InChIInChI=1S/C13H10Cl2O/c1-8-3-2-4-9(5-8)10-6-12(15)13(16)7-11(10)14/h2-7,16H,1H3
InChIKeyCTXLXBKBXLFKCJ-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.67
Rot. Bonds1

About 2,5-dichloro-4-(3-methylphenyl)phenol

2,5-dichloro-4-(3-methylphenyl)phenol (PubChem CID 107663307) has the molecular formula C13H10Cl2O and a molecular weight of 253.13 g/mol. Its IUPAC name is 2,5-dichloro-4-(3-methylphenyl)phenol.

Molecular Properties

Compound Name2,5-dichloro-4-(3-methylphenyl)phenol
PubChem CID107663307
Molecular FormulaC13H10Cl2O
Molecular Weight253.13 g/mol
Exact Mass252.01
IUPAC Name2,5-dichloro-4-(3-methylphenyl)phenol
SMILESCc1cccc(-c2cc(Cl)c(O)cc2Cl)c1
InChIInChI=1S/C13H10Cl2O/c1-8-3-2-4-9(5-8)10-6-12(15)13(16)7-11(10)14/h2-7,16H,1H3
InChIKeyCTXLXBKBXLFKCJ-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-(3-methylphenyl)phenol
CID 83129691
2-(3-methylphenyl)phenol
CID 11206198
2,5-dichloro-4-(3-ethoxyphenyl)phenol
CID 107663392
2,5-dimethyl-3-(3-methylphenyl)phenol
CID 101298780
2,5-dimethyl-4-(3-methylphenyl)phenol
CID 101298799
2-chloro-5-(2-chloro-4-methylphenyl)phenol
CID 53221345
2-[2-methyl-3-(3-methylphenyl)phenyl]phenol
CID 121342890
1-chloro-4-(chloromethyl)-2-(3-methylphenyl)benzene
CID 82119406
2-chloro-1-methyl-3-(3-methylphenyl)benzene
CID 141199898
3-chloro-4-(3-methylphenyl)benzonitrile
CID 172914817
4-(3-methylphenyl)benzene-1,2-diol
CID 101298846
2,5-dichloro-4-(3,4-diethoxyphenyl)phenol
CID 107663304

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(3-methylphenyl)phenol?
The IUPAC name of 2,5-dichloro-4-(3-methylphenyl)phenol (CID 107663307) is 2,5-dichloro-4-(3-methylphenyl)phenol.
What is the SMILES notation for 2,5-dichloro-4-(3-methylphenyl)phenol?
The canonical SMILES for 2,5-dichloro-4-(3-methylphenyl)phenol is Cc1cccc(-c2cc(Cl)c(O)cc2Cl)c1.
What is the InChIKey of 2,5-dichloro-4-(3-methylphenyl)phenol?
The InChIKey is CTXLXBKBXLFKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O/c1-8-3-2-4-9(5-8)10-6-12(15)13(16)7-11(10)14/h2-7,16H,1H3.
What are the key properties of 2,5-dichloro-4-(3-methylphenyl)phenol?
2,5-dichloro-4-(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 2,5-dichloro-4-(3-methylphenyl)phenol is sourced from PubChem (CID 107663307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).