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

C13H20O — CID 63901974

IUPAC1-(2-ethylphenyl)-3-methylbutan-1-ol
SMILESCCc1ccccc1C(O)CC(C)C
InChIInChI=1S/C13H20O/c1-4-11-7-5-6-8-12(11)13(14)9-10(2)3/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyNOIFVCLCHFPTQZ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.33
Rot. Bonds4

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

1-(2-ethylphenyl)-3-methylbutan-1-ol (PubChem CID 63901974) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-methylbutan-1-ol
PubChem CID63901974
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(2-ethylphenyl)-3-methylbutan-1-ol
SMILESCCc1ccccc1C(O)CC(C)C
InChIInChI=1S/C13H20O/c1-4-11-7-5-6-8-12(11)13(14)9-10(2)3/h5-8,10,13-14H,4,9H2,1-3H3
InChIKeyNOIFVCLCHFPTQZ-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-ethoxyphenyl)-3-methylbutan-1-ol
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2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanol
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2-(2,3-dichlorophenyl)-1-(2-ethylphenyl)ethanol
CID 107307475
3-(2-ethylphenyl)-3-hydroxy-2-methylpropanenitrile
CID 79132676
2-(5-chlorothiophen-2-yl)-1-(2-ethylphenyl)ethanol
CID 65150095
1-ethyl-2-[(2S)-pentan-2-yl]benzene
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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 1-(2-ethylphenyl)-3-methylbutan-1-ol (CID 63901974) is 1-(2-ethylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2-ethylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(2-ethylphenyl)-3-methylbutan-1-ol is CCc1ccccc1C(O)CC(C)C.
What is the InChIKey of 1-(2-ethylphenyl)-3-methylbutan-1-ol?
The InChIKey is NOIFVCLCHFPTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-11-7-5-6-8-12(11)13(14)9-10(2)3/h5-8,10,13-14H,4,9H2,1-3H3.
What are the key properties of 1-(2-ethylphenyl)-3-methylbutan-1-ol?
1-(2-ethylphenyl)-3-methylbutan-1-ol has a molecular weight of 192.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 63901974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).