3-chloro-4,5-dimethylphenol

C8H9ClO — CID 5324739

IUPAC3-chloro-4,5-dimethylphenol
SMILESCc1cc(O)cc(Cl)c1C
InChIInChI=1S/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H3
InChIKeyPNFOXSBXYSADIB-UHFFFAOYSA-N
MW156.61 g/mol
LogP2.66
Rot. Bonds

About 3-chloro-4,5-dimethylphenol

3-chloro-4,5-dimethylphenol (PubChem CID 5324739) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is 3-chloro-4,5-dimethylphenol.

Molecular Properties

Compound Name3-chloro-4,5-dimethylphenol
PubChem CID5324739
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Name3-chloro-4,5-dimethylphenol
SMILESCc1cc(O)cc(Cl)c1C
InChIInChI=1S/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H3
InChIKeyPNFOXSBXYSADIB-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethylphenol?
The IUPAC name of 3-chloro-4,5-dimethylphenol (CID 5324739) is 3-chloro-4,5-dimethylphenol.
What is the SMILES notation for 3-chloro-4,5-dimethylphenol?
The canonical SMILES for 3-chloro-4,5-dimethylphenol is Cc1cc(O)cc(Cl)c1C.
What is the InChIKey of 3-chloro-4,5-dimethylphenol?
The InChIKey is PNFOXSBXYSADIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H3.
What are the key properties of 3-chloro-4,5-dimethylphenol?
3-chloro-4,5-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 3-chloro-4,5-dimethylphenol is sourced from PubChem (CID 5324739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).