1-[3-[(E)-hex-1-enyl]phenyl]ethanone

C14H18O — CID 10512317

IUPAC1-[3-[(E)-hex-1-enyl]phenyl]ethanone
SMILESCCCC/C=C/c1cccc(C(C)=O)c1
InChIInChI=1S/C14H18O/c1-3-4-5-6-8-13-9-7-10-14(11-13)12(2)15/h6-11H,3-5H2,1-2H3/b8-6+
InChIKeyPEGZSNLMZRJAQI-SOFGYWHQSA-N
MW202.30 g/mol
LogP4.09
Rot. Bonds5

About 1-[3-[(E)-hex-1-enyl]phenyl]ethanone

1-[3-[(E)-hex-1-enyl]phenyl]ethanone (PubChem CID 10512317) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[3-[(E)-hex-1-enyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(E)-hex-1-enyl]phenyl]ethanone
PubChem CID10512317
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-[3-[(E)-hex-1-enyl]phenyl]ethanone
SMILESCCCC/C=C/c1cccc(C(C)=O)c1
InChIInChI=1S/C14H18O/c1-3-4-5-6-8-13-9-7-10-14(11-13)12(2)15/h6-11H,3-5H2,1-2H3/b8-6+
InChIKeyPEGZSNLMZRJAQI-SOFGYWHQSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-dec-1-enyl]benzoic acid
CID 14233876
(Z)-6-(3-acetylphenyl)-N,N-dimethylhex-5-enamide
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methyl 3-[(E)-hept-1-enyl]benzoate
CID 11148980
3-[(E)-hex-1-enyl]phenol
CID 121007177
3-(3-hex-1-enylphenyl)prop-2-enoic acid
CID 57256540
4-(3-acetylphenyl)but-3-enamide
CID 170797804
N-(hydroxymethyl)-3-tridec-1-enylbenzamide
CID 57068829
1-[3-(4-azidobut-1-enyl)phenyl]ethanone
CID 170485174
N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid
CID 144855446
1-[3-(4-bromobut-1-enyl)phenyl]propan-1-one
CID 170497739
1-hex-1-enyl-3-nitrobenzene
CID 54569294
[3-[(E)-oct-1-enyl]phenyl]methanol
CID 11298937

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(E)-hex-1-enyl]phenyl]ethanone?
The IUPAC name of 1-[3-[(E)-hex-1-enyl]phenyl]ethanone (CID 10512317) is 1-[3-[(E)-hex-1-enyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(E)-hex-1-enyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[(E)-hex-1-enyl]phenyl]ethanone is CCCC/C=C/c1cccc(C(C)=O)c1.
What is the InChIKey of 1-[3-[(E)-hex-1-enyl]phenyl]ethanone?
The InChIKey is PEGZSNLMZRJAQI-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H18O/c1-3-4-5-6-8-13-9-7-10-14(11-13)12(2)15/h6-11H,3-5H2,1-2H3/b8-6+.
What are the key properties of 1-[3-[(E)-hex-1-enyl]phenyl]ethanone?
1-[3-[(E)-hex-1-enyl]phenyl]ethanone has a molecular weight of 202.30 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-hex-1-enyl]phenyl]ethanone is sourced from PubChem (CID 10512317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).