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

C12H18O — CID 23398441

IUPAC3-(2-ethylphenyl)-2-methylpropan-1-ol
SMILESCCc1ccccc1CC(C)CO
InChIInChI=1S/C12H18O/c1-3-11-6-4-5-7-12(11)8-10(2)9-13/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyWGNUVJUOCLIKCZ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.42
Rot. Bonds4

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

3-(2-ethylphenyl)-2-methylpropan-1-ol (PubChem CID 23398441) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2-ethylphenyl)-2-methylpropan-1-ol
PubChem CID23398441
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name3-(2-ethylphenyl)-2-methylpropan-1-ol
SMILESCCc1ccccc1CC(C)CO
InChIInChI=1S/C12H18O/c1-3-11-6-4-5-7-12(11)8-10(2)9-13/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyWGNUVJUOCLIKCZ-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91267290
[2-(2-methylbutyl)phenyl]methanol
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(2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol
CID 130371455
1-(2,3-dimethylbut-3-enyl)-2-ethylbenzene
CID 123267472
1,2-diethylbenzene;hydrobromide
CID 174973685
1-(2-ethylphenyl)-3-methylbutan-2-one
CID 20612116
1-ethyl-2-(2-methylbut-3-enyl)benzene
CID 18956737
carbonic acid;1,2-diethylbenzene
CID 89388803
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
(3S)-3-amino-4-(2-ethylphenyl)butan-2-one
CID 177035778
2-[(2-ethylphenyl)methylamino]propane-1,3-diol
CID 65315433
ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol
CID 144861751

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(2-ethylphenyl)-2-methylpropan-1-ol (CID 23398441) is 3-(2-ethylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2-ethylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2-ethylphenyl)-2-methylpropan-1-ol is CCc1ccccc1CC(C)CO.
What is the InChIKey of 3-(2-ethylphenyl)-2-methylpropan-1-ol?
The InChIKey is WGNUVJUOCLIKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-3-11-6-4-5-7-12(11)8-10(2)9-13/h4-7,10,13H,3,8-9H2,1-2H3.
What are the key properties of 3-(2-ethylphenyl)-2-methylpropan-1-ol?
3-(2-ethylphenyl)-2-methylpropan-1-ol has a molecular weight of 178.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 23398441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).