3-ethylphenol

C8H10O — CID 12101

IUPAC3-ethylphenol
SMILESCCc1cccc(O)c1
InChIInChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
InChIKeyHMNKTRSOROOSPP-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.95
Rot. Bonds1

About 3-ethylphenol

3-ethylphenol (PubChem CID 12101) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-ethylphenol.

Molecular Properties

Compound Name3-ethylphenol
PubChem CID12101
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name3-ethylphenol
SMILESCCc1cccc(O)c1
InChIInChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
InChIKeyHMNKTRSOROOSPP-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.95
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
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
2-Naphthol
CID 8663
Tert-Butylhydroquinone
CID 16043
Dienestrol
CID 667476
1-Naphthol
CID 7005

Frequently Asked Questions

What is the IUPAC name of 3-ethylphenol?
The IUPAC name of 3-ethylphenol (CID 12101) is 3-ethylphenol.
What is the SMILES notation for 3-ethylphenol?
The canonical SMILES for 3-ethylphenol is CCc1cccc(O)c1.
What is the InChIKey of 3-ethylphenol?
The InChIKey is HMNKTRSOROOSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3.
What are the key properties of 3-ethylphenol?
3-ethylphenol has a molecular weight of 122.17 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylphenol is sourced from PubChem (CID 12101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).