1-(3-ethylphenyl)butan-2-ol

C12H18O — CID 91658604

IUPAC1-(3-ethylphenyl)butan-2-ol
SMILESCCc1cccc(CC(O)CC)c1
InChIInChI=1S/C12H18O/c1-3-10-6-5-7-11(8-10)9-12(13)4-2/h5-8,12-13H,3-4,9H2,1-2H3
InChIKeyGIIYSMFFHWPHJT-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.56
Rot. Bonds4

About 1-(3-ethylphenyl)butan-2-ol

1-(3-ethylphenyl)butan-2-ol (PubChem CID 91658604) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-(3-ethylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(3-ethylphenyl)butan-2-ol
PubChem CID91658604
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-(3-ethylphenyl)butan-2-ol
SMILESCCc1cccc(CC(O)CC)c1
InChIInChI=1S/C12H18O/c1-3-10-6-5-7-11(8-10)9-12(13)4-2/h5-8,12-13H,3-4,9H2,1-2H3
InChIKeyGIIYSMFFHWPHJT-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-1-(3-ethylphenyl)butan-2-ol
CID 70653486
1-(3-ethylphenyl)propan-2-ol
CID 85092525
1-[(3-ethylphenyl)methylamino]butan-2-ol
CID 142241799
1-(2,2-difluoroethyl)-3-ethylbenzene;propane
CID 143740703
ethane;1-ethyl-3-(2-methylpropyl)benzene;molecular hydrogen
CID 142978471
4-[(2S)-2-hydroxybutyl]benzene-1,2-diol
CID 130427556
(3S,4S)-3-[(3-ethylphenyl)methyl]-4-hydroxypentan-2-one
CID 146481380
1-(3-ethylphenyl)-3-methylbut-3-en-2-amine
CID 170419567
1-anthracen-2-ylbutan-2-ol
CID 141488114
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
CID 69097361
1,3-bis[(2S)-2-methylbutyl]benzene
CID 102208674

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)butan-2-ol?
The IUPAC name of 1-(3-ethylphenyl)butan-2-ol (CID 91658604) is 1-(3-ethylphenyl)butan-2-ol.
What is the SMILES notation for 1-(3-ethylphenyl)butan-2-ol?
The canonical SMILES for 1-(3-ethylphenyl)butan-2-ol is CCc1cccc(CC(O)CC)c1.
What is the InChIKey of 1-(3-ethylphenyl)butan-2-ol?
The InChIKey is GIIYSMFFHWPHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-3-10-6-5-7-11(8-10)9-12(13)4-2/h5-8,12-13H,3-4,9H2,1-2H3.
What are the key properties of 1-(3-ethylphenyl)butan-2-ol?
1-(3-ethylphenyl)butan-2-ol has a molecular weight of 178.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)butan-2-ol is sourced from PubChem (CID 91658604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).