4-Ethylphenol

C8H10O — CID 31242

IUPAC4-ethylphenol
SMILESCCC1=CC=C(C=C1)O
InChIInChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
InChIKeyHXDOZKJGKXYMEW-UHFFFAOYSA-N
MW122.16 g/mol
LogP2.60
Rot. Bonds1

About 4-Ethylphenol

4-Ethylphenol (PubChem CID 31242) has the molecular formula C8H10O and a molecular weight of 122.16 g/mol. Its IUPAC name is 4-ethylphenol.

Molecular Properties

Compound Name4-Ethylphenol
PubChem CID31242
Molecular FormulaC8H10O
Molecular Weight122.16 g/mol
Exact Mass122.07
IUPAC Name4-ethylphenol
SMILESCCC1=CC=C(C=C1)O
InChIInChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
InChIKeyHXDOZKJGKXYMEW-UHFFFAOYSA-N
XLogP2.60
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity72

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Thymol
CID 6989
Diethylstilbestrol
CID 448537
O-Cresol
CID 335
M-Cresol
CID 342
Tyramine
CID 5610
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017

Frequently Asked Questions

What is the IUPAC name of 4-Ethylphenol?
The IUPAC name of 4-Ethylphenol (CID 31242) is 4-ethylphenol.
What is the SMILES notation for 4-Ethylphenol?
The canonical SMILES for 4-Ethylphenol is CCC1=CC=C(C=C1)O.
What is the InChIKey of 4-Ethylphenol?
The InChIKey is HXDOZKJGKXYMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3.
What are the key properties of 4-Ethylphenol?
4-Ethylphenol has a molecular weight of 122.16 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Ethylphenol is sourced from PubChem (CID 31242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).