4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate

C19H19O3- — CID 123740541

IUPAC4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate
SMILESCOC([O-])=CCC(C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H20O3/c1-14(11-12-18(20)22-2)16-9-6-10-17(13-16)19(21)15-7-4-3-5-8-15/h3-10,12-14,20H,11H2,1-2H3/p-1
InChIKeyPEAUCTIAFQWLGH-UHFFFAOYSA-M
MW295.36 g/mol
LogP3.26
Rot. Bonds6

About 4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate

4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate (PubChem CID 123740541) has the molecular formula C19H19O3- and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate.

Molecular Properties

Compound Name4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate
PubChem CID123740541
Molecular FormulaC19H19O3-
Molecular Weight295.36 g/mol
Exact Mass295.13
IUPAC Name4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate
SMILESCOC([O-])=CCC(C)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C19H20O3/c1-14(11-12-18(20)22-2)16-9-6-10-17(13-16)19(21)15-7-4-3-5-8-15/h3-10,12-14,20H,11H2,1-2H3/p-1
InChIKeyPEAUCTIAFQWLGH-UHFFFAOYSA-M
XLogP3.26
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

sodium (2S)-2-(3-benzoylphenyl)propanoate
CID 67762789
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
methoxy formate;phenyl-(3-propan-2-ylphenyl)methanone
CID 142574607
3-(3-benzoylphenyl)butanimidamide;hydrochloride
CID 141113823
potassium 2-amino-2-(3-benzoylphenyl)acetate
CID 23717364
CID 66964934
CID 66964934
2-(3-benzoylphenyl)-3-methylbutanoic acid
CID 134119890
CID 157056025
CID 157056025
1-aminoethylideneazanium;2-(3-benzoylphenyl)propanoate
CID 158675776
3-hydroxybutyl 2-(3-benzoylphenyl)propanoate
CID 129318298
propan-2-yl (2S)-2-(3-benzoylphenyl)propanoate
CID 129318918

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate?
The IUPAC name of 4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate (CID 123740541) is 4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate.
What is the SMILES notation for 4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate?
The canonical SMILES for 4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate is COC([O-])=CCC(C)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate?
The InChIKey is PEAUCTIAFQWLGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H20O3/c1-14(11-12-18(20)22-2)16-9-6-10-17(13-16)19(21)15-7-4-3-5-8-15/h3-10,12-14,20H,11H2,1-2H3/p-1.
What are the key properties of 4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate?
4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate has a molecular weight of 295.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzoylphenyl)-1-methoxypent-1-en-1-olate is sourced from PubChem (CID 123740541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).