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

C11H16O — CID 85092525

IUPAC1-(3-ethylphenyl)propan-2-ol
SMILESCCc1cccc(CC(C)O)c1
InChIInChI=1S/C11H16O/c1-3-10-5-4-6-11(8-10)7-9(2)12/h4-6,8-9,12H,3,7H2,1-2H3
InChIKeyCEQZACOJFRFICU-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.17
Rot. Bonds3

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

1-(3-ethylphenyl)propan-2-ol (PubChem CID 85092525) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(3-ethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-ethylphenyl)propan-2-ol
PubChem CID85092525
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-(3-ethylphenyl)propan-2-ol
SMILESCCc1cccc(CC(C)O)c1
InChIInChI=1S/C11H16O/c1-3-10-5-4-6-11(8-10)7-9(2)12/h4-6,8-9,12H,3,7H2,1-2H3
InChIKeyCEQZACOJFRFICU-UHFFFAOYSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethylphenyl)butan-2-ol
CID 91658604
ethane;1-ethyl-3-(2-methylpropyl)benzene;molecular hydrogen
CID 142978471
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
(3S,4S)-3-[(3-ethylphenyl)methyl]-4-hydroxypentan-2-one
CID 146481380
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
4-amino-1-(3-ethylphenyl)butan-2-ol
CID 70653486
1-(2,2-difluoroethyl)-3-ethylbenzene;propane
CID 143740703
1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol
CID 117107385
1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol
CID 117114454
1-(3-ethylphenyl)-3-methylbut-3-en-2-amine
CID 170419567
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol
CID 117114461

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)propan-2-ol?
The IUPAC name of 1-(3-ethylphenyl)propan-2-ol (CID 85092525) is 1-(3-ethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-ethylphenyl)propan-2-ol?
The canonical SMILES for 1-(3-ethylphenyl)propan-2-ol is CCc1cccc(CC(C)O)c1.
What is the InChIKey of 1-(3-ethylphenyl)propan-2-ol?
The InChIKey is CEQZACOJFRFICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-10-5-4-6-11(8-10)7-9(2)12/h4-6,8-9,12H,3,7H2,1-2H3.
What are the key properties of 1-(3-ethylphenyl)propan-2-ol?
1-(3-ethylphenyl)propan-2-ol has a molecular weight of 164.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)propan-2-ol is sourced from PubChem (CID 85092525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).