4-chloro-3,5-dimethylphenol

C8H9ClO — CID 2723

💊View drug profile → chloroxylenol
IUPAC4-chloro-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1Cl
InChIInChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
InChIKeyOSDLLIBGSJNGJE-UHFFFAOYSA-N
MW156.61 g/mol
LogP2.66
Rot. Bonds

About 4-chloro-3,5-dimethylphenol

4-chloro-3,5-dimethylphenol (PubChem CID 2723) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is 4-chloro-3,5-dimethylphenol.

Molecular Properties

Compound Name4-chloro-3,5-dimethylphenol
PubChem CID2723
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Name4-chloro-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1Cl
InChIInChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
InChIKeyOSDLLIBGSJNGJE-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chloro-3-methylphenol
CID 1732
3,5-Dimethylphenol
CID 7948
2,4-Dichloro-3,5-dimethylphenol
CID 8621
Chlorothymol
CID 6982
4-Chloro-2-methyl-5-(1-methylethyl)phenol
CID 21874
Sodium p-chloro-m-cresol
CID 23672305
3-Ethyl-5-methylphenol
CID 12775
4-Chloro-2,5-xylenol
CID 70756
2,4-Dichloro-m-cresol
CID 87305
2,6-Dimethyl-4-chlorophenol
CID 70747
4-Chloro-3-(trifluoromethyl)phenol
CID 80520
4,6-Dichloro-m-cresol
CID 70757

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-dimethylphenol?
The IUPAC name of 4-chloro-3,5-dimethylphenol (CID 2723) is 4-chloro-3,5-dimethylphenol.
What is the SMILES notation for 4-chloro-3,5-dimethylphenol?
The canonical SMILES for 4-chloro-3,5-dimethylphenol is Cc1cc(O)cc(C)c1Cl.
What is the InChIKey of 4-chloro-3,5-dimethylphenol?
The InChIKey is OSDLLIBGSJNGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3.
What are the key properties of 4-chloro-3,5-dimethylphenol?
4-chloro-3,5-dimethylphenol has a molecular weight of 156.61 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-dimethylphenol is sourced from PubChem (CID 2723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).