(E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one

C19H20O2 — CID 162420049

IUPAC(E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one
SMILESCOc1ccccc1C(=O)CCC/C=C/c1ccccc1
InChIInChI=1S/C19H20O2/c1-21-19-15-9-8-13-17(19)18(20)14-7-3-6-12-16-10-4-2-5-11-16/h2,4-6,8-13,15H,3,7,14H2,1H3/b12-6+
InChIKeySCGHUXDGMAZVEJ-WUXMJOGZSA-N
MW280.37 g/mol
LogP4.76
Rot. Bonds7

About (E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one

(E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one (PubChem CID 162420049) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one
PubChem CID162420049
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one
SMILESCOc1ccccc1C(=O)CCC/C=C/c1ccccc1
InChIInChI=1S/C19H20O2/c1-21-19-15-9-8-13-17(19)18(20)14-7-3-6-12-16-10-4-2-5-11-16/h2,4-6,8-13,15H,3,7,14H2,1H3/b12-6+
InChIKeySCGHUXDGMAZVEJ-WUXMJOGZSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)hept-6-en-1-one
CID 159355856
7-phenylhept-6-en-2-one
CID 582607
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
(E)-1,7-diphenylhept-6-en-1-one
CID 5369755
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
ethyl (E)-7-phenylhept-6-enoate
CID 134964924
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
trimethoxy(5-phenylpent-4-enyl)silane
CID 57062369
3-(2-methoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94688299
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
3-butoxy-1-(2-methoxyphenyl)propan-1-one
CID 55096402
ethyl (E)-8-phenyloct-7-enoate
CID 139263664

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one?
The IUPAC name of (E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one (CID 162420049) is (E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one.
What is the SMILES notation for (E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one?
The canonical SMILES for (E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one is COc1ccccc1C(=O)CCC/C=C/c1ccccc1.
What is the InChIKey of (E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one?
The InChIKey is SCGHUXDGMAZVEJ-WUXMJOGZSA-N. The full InChI is InChI=1S/C19H20O2/c1-21-19-15-9-8-13-17(19)18(20)14-7-3-6-12-16-10-4-2-5-11-16/h2,4-6,8-13,15H,3,7,14H2,1H3/b12-6+.
What are the key properties of (E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one?
(E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methoxyphenyl)-6-phenylhex-5-en-1-one is sourced from PubChem (CID 162420049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).