3-chloro-5-ethylphenol

C8H9ClO — CID 58182357

IUPAC3-chloro-5-ethylphenol
SMILESCCc1cc(O)cc(Cl)c1
InChIInChI=1S/C8H9ClO/c1-2-6-3-7(9)5-8(10)4-6/h3-5,10H,2H2,1H3
InChIKeyTVXPDDBBCZWBIE-UHFFFAOYSA-N
MW156.61 g/mol
LogP2.61
Rot. Bonds1

About 3-chloro-5-ethylphenol

3-chloro-5-ethylphenol (PubChem CID 58182357) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is 3-chloro-5-ethylphenol.

Molecular Properties

Compound Name3-chloro-5-ethylphenol
PubChem CID58182357
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Name3-chloro-5-ethylphenol
SMILESCCc1cc(O)cc(Cl)c1
InChIInChI=1S/C8H9ClO/c1-2-6-3-7(9)5-8(10)4-6/h3-5,10H,2H2,1H3
InChIKeyTVXPDDBBCZWBIE-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethylphenol?
The IUPAC name of 3-chloro-5-ethylphenol (CID 58182357) is 3-chloro-5-ethylphenol.
What is the SMILES notation for 3-chloro-5-ethylphenol?
The canonical SMILES for 3-chloro-5-ethylphenol is CCc1cc(O)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-ethylphenol?
The InChIKey is TVXPDDBBCZWBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO/c1-2-6-3-7(9)5-8(10)4-6/h3-5,10H,2H2,1H3.
What are the key properties of 3-chloro-5-ethylphenol?
3-chloro-5-ethylphenol has a molecular weight of 156.61 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethylphenol is sourced from PubChem (CID 58182357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).