2-chloro-3-methylphenol;ethane

C9H13ClO — CID 171645221

IUPAC2-chloro-3-methylphenol;ethane
SMILESCC.Cc1cccc(O)c1Cl
InChIInChI=1S/C7H7ClO.C2H6/c1-5-3-2-4-6(9)7(5)8;1-2/h2-4,9H,1H3;1-2H3
InChIKeyFIWZHDBQZNZBQS-UHFFFAOYSA-N
MW172.66 g/mol
LogP3.38
Rot. Bonds

About 2-chloro-3-methylphenol;ethane

2-chloro-3-methylphenol;ethane (PubChem CID 171645221) has the molecular formula C9H13ClO and a molecular weight of 172.66 g/mol. Its IUPAC name is 2-chloro-3-methylphenol;ethane.

Molecular Properties

Compound Name2-chloro-3-methylphenol;ethane
PubChem CID171645221
Molecular FormulaC9H13ClO
Molecular Weight172.66 g/mol
Exact Mass172.07
IUPAC Name2-chloro-3-methylphenol;ethane
SMILESCC.Cc1cccc(O)c1Cl
InChIInChI=1S/C7H7ClO.C2H6/c1-5-3-2-4-6(9)7(5)8;1-2/h2-4,9H,1H3;1-2H3
InChIKeyFIWZHDBQZNZBQS-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 ≤ 500172.66
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylphenol;ethane?
The IUPAC name of 2-chloro-3-methylphenol;ethane (CID 171645221) is 2-chloro-3-methylphenol;ethane.
What is the SMILES notation for 2-chloro-3-methylphenol;ethane?
The canonical SMILES for 2-chloro-3-methylphenol;ethane is CC.Cc1cccc(O)c1Cl.
What is the InChIKey of 2-chloro-3-methylphenol;ethane?
The InChIKey is FIWZHDBQZNZBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO.C2H6/c1-5-3-2-4-6(9)7(5)8;1-2/h2-4,9H,1H3;1-2H3.
What are the key properties of 2-chloro-3-methylphenol;ethane?
2-chloro-3-methylphenol;ethane has a molecular weight of 172.66 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 2-chloro-3-methylphenol;ethane is sourced from PubChem (CID 171645221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).