(E)-4-methyl-6-phenylhept-4-en-2-one

C14H18O — CID 10241959

IUPAC(E)-4-methyl-6-phenylhept-4-en-2-one
SMILESCC(=O)C/C(C)=C/C(C)c1ccccc1
InChIInChI=1S/C14H18O/c1-11(10-13(3)15)9-12(2)14-7-5-4-6-8-14/h4-9,12H,10H2,1-3H3/b11-9+
InChIKeyXZNLRJKGNVTTHQ-PKNBQFBNSA-N
MW202.30 g/mol
LogP3.72
Rot. Bonds4

About (E)-4-methyl-6-phenylhept-4-en-2-one

(E)-4-methyl-6-phenylhept-4-en-2-one (PubChem CID 10241959) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (E)-4-methyl-6-phenylhept-4-en-2-one.

Molecular Properties

Compound Name(E)-4-methyl-6-phenylhept-4-en-2-one
PubChem CID10241959
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(E)-4-methyl-6-phenylhept-4-en-2-one
SMILESCC(=O)C/C(C)=C/C(C)c1ccccc1
InChIInChI=1S/C14H18O/c1-11(10-13(3)15)9-12(2)14-7-5-4-6-8-14/h4-9,12H,10H2,1-3H3/b11-9+
InChIKeyXZNLRJKGNVTTHQ-PKNBQFBNSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methyl-4-phenylpent-2-enyl)benzoic acid
CID 58658275
(Z)-4-methyl-6-phenylhept-4-en-1-ol
CID 134964150
ethyl (E)-2-methyl-4-phenylpent-2-enoate;(E)-2-methyl-4-phenylpent-2-en-1-ol
CID 158052477
diethyl 2-[(2S)-2-phenylpropylidene]propanedioate
CID 101044093
4-(1-phenylethylimino)pentan-2-one
CID 56976163
[(E,2R)-4-ethoxypent-3-en-2-yl]benzene
CID 59915630
dipropan-2-yl 2-(2-phenylpropylidene)propanedioate
CID 141417794
(Z)-2-cyano-4-phenylpent-2-enoic acid
CID 107293057
dimethyl 2-[(E)-4-phenylpent-2-enyl]propanedioate
CID 122378801
ethyl 2-ethyl-4-phenylpent-2-enoate
CID 123338226
N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 21214243
acetic acid;cumene
CID 172767405

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-6-phenylhept-4-en-2-one?
The IUPAC name of (E)-4-methyl-6-phenylhept-4-en-2-one (CID 10241959) is (E)-4-methyl-6-phenylhept-4-en-2-one.
What is the SMILES notation for (E)-4-methyl-6-phenylhept-4-en-2-one?
The canonical SMILES for (E)-4-methyl-6-phenylhept-4-en-2-one is CC(=O)C/C(C)=C/C(C)c1ccccc1.
What is the InChIKey of (E)-4-methyl-6-phenylhept-4-en-2-one?
The InChIKey is XZNLRJKGNVTTHQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H18O/c1-11(10-13(3)15)9-12(2)14-7-5-4-6-8-14/h4-9,12H,10H2,1-3H3/b11-9+.
What are the key properties of (E)-4-methyl-6-phenylhept-4-en-2-one?
(E)-4-methyl-6-phenylhept-4-en-2-one has a molecular weight of 202.30 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-6-phenylhept-4-en-2-one is sourced from PubChem (CID 10241959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).