6-chloro-2-ethyl-3-methylphenol

C9H11ClO — CID 123495023

IUPAC6-chloro-2-ethyl-3-methylphenol
SMILESCCc1c(C)ccc(Cl)c1O
InChIInChI=1S/C9H11ClO/c1-3-7-6(2)4-5-8(10)9(7)11/h4-5,11H,3H2,1-2H3
InChIKeyGPYDXXHKXCDCSY-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.92
Rot. Bonds1

About 6-chloro-2-ethyl-3-methylphenol

6-chloro-2-ethyl-3-methylphenol (PubChem CID 123495023) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-methylphenol.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-methylphenol
PubChem CID123495023
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name6-chloro-2-ethyl-3-methylphenol
SMILESCCc1c(C)ccc(Cl)c1O
InChIInChI=1S/C9H11ClO/c1-3-7-6(2)4-5-8(10)9(7)11/h4-5,11H,3H2,1-2H3
InChIKeyGPYDXXHKXCDCSY-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-methylphenol?
The IUPAC name of 6-chloro-2-ethyl-3-methylphenol (CID 123495023) is 6-chloro-2-ethyl-3-methylphenol.
What is the SMILES notation for 6-chloro-2-ethyl-3-methylphenol?
The canonical SMILES for 6-chloro-2-ethyl-3-methylphenol is CCc1c(C)ccc(Cl)c1O.
What is the InChIKey of 6-chloro-2-ethyl-3-methylphenol?
The InChIKey is GPYDXXHKXCDCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-3-7-6(2)4-5-8(10)9(7)11/h4-5,11H,3H2,1-2H3.
What are the key properties of 6-chloro-2-ethyl-3-methylphenol?
6-chloro-2-ethyl-3-methylphenol has a molecular weight of 170.64 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3-methylphenol is sourced from PubChem (CID 123495023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).