2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium

C11H12O4V — CID 157458679

IUPAC2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium
SMILESCOC(CC(=O)c1ccccc1)C(=O)O.[V]
InChIInChI=1S/C11H12O4.V/c1-15-10(11(13)14)7-9(12)8-5-3-2-4-6-8;/h2-6,10H,7H2,1H3,(H,13,14);
InChIKeyBTQXTNLIXNQRNQ-UHFFFAOYSA-N
MW259.16 g/mol
LogP1.36
Rot. Bonds5

About 2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium

2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium (PubChem CID 157458679) has the molecular formula C11H12O4V and a molecular weight of 259.16 g/mol. Its IUPAC name is 2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium.

Molecular Properties

Compound Name2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium
PubChem CID157458679
Molecular FormulaC11H12O4V
Molecular Weight259.16 g/mol
Exact Mass259.02
IUPAC Name2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium
SMILESCOC(CC(=O)c1ccccc1)C(=O)O.[V]
InChIInChI=1S/C11H12O4.V/c1-15-10(11(13)14)7-9(12)8-5-3-2-4-6-8;/h2-6,10H,7H2,1H3,(H,13,14);
InChIKeyBTQXTNLIXNQRNQ-UHFFFAOYSA-N
XLogP1.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1,4-diphenylbutane-1,4-dione
CID 11459858
4-(3,4-difluorophenyl)-2-methoxy-4-oxobutanoic acid
CID 10444483
4-(3,5-dichloro-4-methylphenyl)-2-methoxy-4-oxobutanoic acid
CID 13420313
(Z,3S,6R)-3-methoxy-4-methyl-6-methylsulfonyl-1-phenylhept-4-en-1-one
CID 101123075
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
(3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one
CID 68510519
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
2,3-dimethoxy-1-phenylpropan-1-one
CID 90073170
methyl (3S)-3-hydroxy-5-oxo-5-phenylpentanoate
CID 45113502
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
3-amino-4,4-dimethyl-1-phenylpentan-1-one
CID 116608460

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium?
The IUPAC name of 2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium (CID 157458679) is 2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium.
What is the SMILES notation for 2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium?
The canonical SMILES for 2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium is COC(CC(=O)c1ccccc1)C(=O)O.[V].
What is the InChIKey of 2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium?
The InChIKey is BTQXTNLIXNQRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4.V/c1-15-10(11(13)14)7-9(12)8-5-3-2-4-6-8;/h2-6,10H,7H2,1H3,(H,13,14);.
What are the key properties of 2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium?
2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium has a molecular weight of 259.16 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium is sourced from PubChem (CID 157458679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).