(E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one

C22H26O2 — CID 10734633

IUPAC(E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/CCCCCCc2ccccc2)cc1
InChIInChI=1S/C22H26O2/c1-24-21-17-15-20(16-18-21)22(23)14-10-5-3-2-4-7-11-19-12-8-6-9-13-19/h6,8-10,12-18H,2-5,7,11H2,1H3/b14-10+
InChIKeyFAXSVGJGFUSZTR-GXDHUFHOSA-N
MW322.45 g/mol
LogP5.63
Rot. Bonds10

About (E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one

(E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one (PubChem CID 10734633) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one
PubChem CID10734633
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name(E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/CCCCCCc2ccccc2)cc1
InChIInChI=1S/C22H26O2/c1-24-21-17-15-20(16-18-21)22(23)14-10-5-3-2-4-7-11-19-12-8-6-9-13-19/h6,8-10,12-18H,2-5,7,11H2,1H3/b14-10+
InChIKeyFAXSVGJGFUSZTR-GXDHUFHOSA-N
XLogP5.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(3,4-dimethoxyphenyl)-9-phenylnon-2-en-1-one
CID 10618001
(E)-1-(3-methoxyphenyl)-5-phenylpent-2-en-1-one
CID 162676088
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
(E)-1-(4-methylphenyl)-5-phenylpent-2-en-1-one
CID 162644983
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
9-phenylnon-2-enamide
CID 123957146
ethyl (E)-9-phenylnon-2-enoate
CID 10753852
(E)-6,6-dihydroxy-1-(4-methoxyphenyl)hex-2-en-1-one
CID 141330437
(E)-N-methyl-11-phenylundec-2-enamide
CID 118028584
(4-methoxyphenyl)-phenylmethanone;(4-octylphenyl)-phenylmethanone
CID 67686863
6-(4-methoxyphenyl)hex-1-en-1-ol
CID 67578939
8-hydroxy-1-phenyloct-2-en-1-one
CID 86086024

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one?
The IUPAC name of (E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one (CID 10734633) is (E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one is COc1ccc(C(=O)/C=C/CCCCCCc2ccccc2)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one?
The InChIKey is FAXSVGJGFUSZTR-GXDHUFHOSA-N. The full InChI is InChI=1S/C22H26O2/c1-24-21-17-15-20(16-18-21)22(23)14-10-5-3-2-4-7-11-19-12-8-6-9-13-19/h6,8-10,12-18H,2-5,7,11H2,1H3/b14-10+.
What are the key properties of (E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one?
(E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one has a molecular weight of 322.45 g/mol, XLogP of 5.63, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-9-phenylnon-2-en-1-one is sourced from PubChem (CID 10734633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).