4-chloro-2-ethylphenol

C8H9ClO — CID 29357

IUPAC4-chloro-2-ethylphenol
SMILESCCc1cc(Cl)ccc1O
InChIInChI=1S/C8H9ClO/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1H3
InChIKeyQCEDDUSMBLCRNH-UHFFFAOYSA-N
MW156.61 g/mol
LogP2.61
Rot. Bonds1

About 4-chloro-2-ethylphenol

4-chloro-2-ethylphenol (PubChem CID 29357) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is 4-chloro-2-ethylphenol.

Molecular Properties

Compound Name4-chloro-2-ethylphenol
PubChem CID29357
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Name4-chloro-2-ethylphenol
SMILESCCc1cc(Cl)ccc1O
InChIInChI=1S/C8H9ClO/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1H3
InChIKeyQCEDDUSMBLCRNH-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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Related Compounds

Chlorophene
CID 8425
4-Chloro-3-methylphenol
CID 1732
Dichlorophen
CID 3037
2-Ethylphenol
CID 6997
4-Chloro-2-methylphenol
CID 14855
2-Propylphenol
CID 12570
2-Allylphenol
CID 15624
Chlorothymol
CID 6982
Chlorindanol
CID 8961
4-Chloro-2-methyl-5-(1-methylethyl)phenol
CID 21874
Dowicide 9
CID 61594
2-Hydroxy-3,5-dichlorobiphenyl
CID 21419

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethylphenol?
The IUPAC name of 4-chloro-2-ethylphenol (CID 29357) is 4-chloro-2-ethylphenol.
What is the SMILES notation for 4-chloro-2-ethylphenol?
The canonical SMILES for 4-chloro-2-ethylphenol is CCc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-ethylphenol?
The InChIKey is QCEDDUSMBLCRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1H3.
What are the key properties of 4-chloro-2-ethylphenol?
4-chloro-2-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 4-chloro-2-ethylphenol is sourced from PubChem (CID 29357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).