3-ethylphenol;4-ethylphenol

C16H20O2 — CID 70541430

IUPAC3-ethylphenol;4-ethylphenol
SMILESCCc1ccc(O)cc1.CCc1cccc(O)c1
InChIInChI=1S/2C8H10O/c1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7/h2*3-6,9H,2H2,1H3
InChIKeyCLBHLUQVDORXHU-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.91
Rot. Bonds2

About 3-ethylphenol;4-ethylphenol

3-ethylphenol;4-ethylphenol (PubChem CID 70541430) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-ethylphenol;4-ethylphenol.

Molecular Properties

Compound Name3-ethylphenol;4-ethylphenol
PubChem CID70541430
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name3-ethylphenol;4-ethylphenol
SMILESCCc1ccc(O)cc1.CCc1cccc(O)c1
InChIInChI=1S/2C8H10O/c1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7/h2*3-6,9H,2H2,1H3
InChIKeyCLBHLUQVDORXHU-UHFFFAOYSA-N
XLogP3.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-ethylphenoxy)methyl]phenol
CID 70330427
3-ethylphenol;3,4,5-trimethylphenol
CID 174466611
3-(aminomethyl)phenol;ethane;ethylbenzene
CID 144683707
magnesium;4-ethylphenol;hydride
CID 174425334
sodium;4-ethylphenol;hydroxide
CID 160913882
bis(1,4-diethylbenzene);tris(naphthalen-2-ol)
CID 90749949
phenol;3-propylphenol
CID 66960022
4-(3-ethylphenyl)-3-fluorophenol
CID 83130273
ethane;4-ethylphenol;formaldehyde
CID 131698499
(3Z)-3,4-dimethylhexa-1,3,5-triene;3-ethylphenol;N-methylethanamine
CID 143110954
1-bromo-4-ethylbenzene;phenol
CID 174859623
3-[(4-propylphenyl)methyl]phenol
CID 67607655

Frequently Asked Questions

What is the IUPAC name of 3-ethylphenol;4-ethylphenol?
The IUPAC name of 3-ethylphenol;4-ethylphenol (CID 70541430) is 3-ethylphenol;4-ethylphenol.
What is the SMILES notation for 3-ethylphenol;4-ethylphenol?
The canonical SMILES for 3-ethylphenol;4-ethylphenol is CCc1ccc(O)cc1.CCc1cccc(O)c1.
What is the InChIKey of 3-ethylphenol;4-ethylphenol?
The InChIKey is CLBHLUQVDORXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10O/c1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7/h2*3-6,9H,2H2,1H3.
What are the key properties of 3-ethylphenol;4-ethylphenol?
3-ethylphenol;4-ethylphenol has a molecular weight of 244.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylphenol;4-ethylphenol is sourced from PubChem (CID 70541430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).