3-ethylphenol;3,4,5-trimethylphenol

C17H22O2 — CID 174466611

IUPAC3-ethylphenol;3,4,5-trimethylphenol
SMILESCCc1cccc(O)c1.Cc1cc(O)cc(C)c1C
InChIInChI=1S/C9H12O.C8H10O/c1-6-4-9(10)5-7(2)8(6)3;1-2-7-4-3-5-8(9)6-7/h4-5,10H,1-3H3;3-6,9H,2H2,1H3
InChIKeyDJOTWXZSNSFOSB-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.27
Rot. Bonds1

About 3-ethylphenol;3,4,5-trimethylphenol

3-ethylphenol;3,4,5-trimethylphenol (PubChem CID 174466611) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-ethylphenol;3,4,5-trimethylphenol.

Molecular Properties

Compound Name3-ethylphenol;3,4,5-trimethylphenol
PubChem CID174466611
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name3-ethylphenol;3,4,5-trimethylphenol
SMILESCCc1cccc(O)c1.Cc1cc(O)cc(C)c1C
InChIInChI=1S/C9H12O.C8H10O/c1-6-4-9(10)5-7(2)8(6)3;1-2-7-4-3-5-8(9)6-7/h4-5,10H,1-3H3;3-6,9H,2H2,1H3
InChIKeyDJOTWXZSNSFOSB-UHFFFAOYSA-N
XLogP4.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethylphenol;4-ethylphenol
CID 70541430
(3Z)-3,4-dimethylhexa-1,3,5-triene;3-ethylphenol;N-methylethanamine
CID 143110954
methane;3,4,5-trimethylphenol
CID 174273113
3-(aminomethyl)phenol;ethane;ethylbenzene
CID 144683707
3-(3,4,5-trimethylphenyl)phenol
CID 101298838
3-[(4-ethylphenoxy)methyl]phenol
CID 70330427
3-[2-[2-(2-methylphenyl)ethylamino]ethyl]phenol
CID 21152964
3-(propylaminomethyl)phenol
CID 10725714
1-(3-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045961
1-(4-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045959
3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
ethane;1-ethyl-3-methylbenzene;3,4,5-trimethylbenzoyl chloride
CID 142208207

Frequently Asked Questions

What is the IUPAC name of 3-ethylphenol;3,4,5-trimethylphenol?
The IUPAC name of 3-ethylphenol;3,4,5-trimethylphenol (CID 174466611) is 3-ethylphenol;3,4,5-trimethylphenol.
What is the SMILES notation for 3-ethylphenol;3,4,5-trimethylphenol?
The canonical SMILES for 3-ethylphenol;3,4,5-trimethylphenol is CCc1cccc(O)c1.Cc1cc(O)cc(C)c1C.
What is the InChIKey of 3-ethylphenol;3,4,5-trimethylphenol?
The InChIKey is DJOTWXZSNSFOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C8H10O/c1-6-4-9(10)5-7(2)8(6)3;1-2-7-4-3-5-8(9)6-7/h4-5,10H,1-3H3;3-6,9H,2H2,1H3.
What are the key properties of 3-ethylphenol;3,4,5-trimethylphenol?
3-ethylphenol;3,4,5-trimethylphenol has a molecular weight of 258.36 g/mol, XLogP of 4.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylphenol;3,4,5-trimethylphenol is sourced from PubChem (CID 174466611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).