(3E)-3-benzylidenepentan-2-ol

C12H16O — CID 135080947

IUPAC(3E)-3-benzylidenepentan-2-ol
SMILESCC/C(=C\c1ccccc1)C(C)O
InChIInChI=1S/C12H16O/c1-3-12(10(2)13)9-11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3/b12-9+
InChIKeyQQQSIXUSQWYCLI-FMIVXFBMSA-N
MW176.26 g/mol
LogP2.86
Rot. Bonds3

About (3E)-3-benzylidenepentan-2-ol

(3E)-3-benzylidenepentan-2-ol (PubChem CID 135080947) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (3E)-3-benzylidenepentan-2-ol.

Molecular Properties

Compound Name(3E)-3-benzylidenepentan-2-ol
PubChem CID135080947
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(3E)-3-benzylidenepentan-2-ol
SMILESCC/C(=C\c1ccccc1)C(C)O
InChIInChI=1S/C12H16O/c1-3-12(10(2)13)9-11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3/b12-9+
InChIKeyQQQSIXUSQWYCLI-FMIVXFBMSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(E,2S)-3,4-diphenylbut-3-en-2-ol
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2-benzylidene-3-methylpentan-1-amine
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Frequently Asked Questions

What is the IUPAC name of (3E)-3-benzylidenepentan-2-ol?
The IUPAC name of (3E)-3-benzylidenepentan-2-ol (CID 135080947) is (3E)-3-benzylidenepentan-2-ol.
What is the SMILES notation for (3E)-3-benzylidenepentan-2-ol?
The canonical SMILES for (3E)-3-benzylidenepentan-2-ol is CC/C(=C\c1ccccc1)C(C)O.
What is the InChIKey of (3E)-3-benzylidenepentan-2-ol?
The InChIKey is QQQSIXUSQWYCLI-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H16O/c1-3-12(10(2)13)9-11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3/b12-9+.
What are the key properties of (3E)-3-benzylidenepentan-2-ol?
(3E)-3-benzylidenepentan-2-ol has a molecular weight of 176.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-benzylidenepentan-2-ol is sourced from PubChem (CID 135080947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).