3-chloro-4-methylphenol;ethane

C9H13ClO — CID 143636628

IUPAC3-chloro-4-methylphenol;ethane
SMILESCC.Cc1ccc(O)cc1Cl
InChIInChI=1S/C7H7ClO.C2H6/c1-5-2-3-6(9)4-7(5)8;1-2/h2-4,9H,1H3;1-2H3
InChIKeyNRTFKQNGNDMFRQ-UHFFFAOYSA-N
MW172.65 g/mol
LogP3.38
Rot. Bonds

About 3-chloro-4-methylphenol;ethane

3-chloro-4-methylphenol;ethane (PubChem CID 143636628) has the molecular formula C9H13ClO and a molecular weight of 172.65 g/mol. Its IUPAC name is 3-chloro-4-methylphenol;ethane.

Molecular Properties

Compound Name3-chloro-4-methylphenol;ethane
PubChem CID143636628
Molecular FormulaC9H13ClO
Molecular Weight172.65 g/mol
Exact Mass172.07
IUPAC Name3-chloro-4-methylphenol;ethane
SMILESCC.Cc1ccc(O)cc1Cl
InChIInChI=1S/C7H7ClO.C2H6/c1-5-2-3-6(9)4-7(5)8;1-2/h2-4,9H,1H3;1-2H3
InChIKeyNRTFKQNGNDMFRQ-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.65
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-4-methylphenol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methylphenol;ethane?
The IUPAC name of 3-chloro-4-methylphenol;ethane (CID 143636628) is 3-chloro-4-methylphenol;ethane.
What is the SMILES notation for 3-chloro-4-methylphenol;ethane?
The canonical SMILES for 3-chloro-4-methylphenol;ethane is CC.Cc1ccc(O)cc1Cl.
What is the InChIKey of 3-chloro-4-methylphenol;ethane?
The InChIKey is NRTFKQNGNDMFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO.C2H6/c1-5-2-3-6(9)4-7(5)8;1-2/h2-4,9H,1H3;1-2H3.
What are the key properties of 3-chloro-4-methylphenol;ethane?
3-chloro-4-methylphenol;ethane has a molecular weight of 172.65 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methylphenol;ethane is sourced from PubChem (CID 143636628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).