4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid

C17H16O4 — CID 123340763

IUPAC4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid
SMILESO=C(O)CCC(=O)OCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H16O4/c18-16(19)9-10-17(20)21-12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,18,19)
InChIKeyAXORHIJRMHRPJK-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.26
Rot. Bonds6

About 4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid

4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid (PubChem CID 123340763) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid
PubChem CID123340763
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid
SMILESO=C(O)CCC(=O)OCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H16O4/c18-16(19)9-10-17(20)21-12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,18,19)
InChIKeyAXORHIJRMHRPJK-UHFFFAOYSA-N
XLogP3.26
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-phenylphenyl)methyl propanoate
CID 67574989
4-[(3-methyl-5-phenylphenyl)methoxy]-4-oxobutanoic acid
CID 134565187
4-[(3-ethyl-5-phenylphenyl)methoxy]-4-oxobutanoic acid
CID 118004977
4-[[2-[3-[4-(3-ethylphenyl)phenyl]propyl]phenyl]methoxy]-4-oxobutanoic acid
CID 118004580
dibenzyl 4-oxoheptanedioate
CID 14639376
benzyl 4-oxo-5-(4-phenylphenyl)pentanoate
CID 167054854
silver 4-oxo-4-phenylmethoxybutanoate
CID 22480517
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
4-O-amino 1-O-benzyl butanedioate
CID 54013080
4-O-[[3-(hydroxymethyl)-5-phenylphenyl]methyl] 1-O-methyl butanedioate
CID 144823143
benzyl pent-4-enoate;pent-4-enoic acid
CID 160968601
2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
CID 67146724

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid?
The IUPAC name of 4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid (CID 123340763) is 4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid.
What is the SMILES notation for 4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid?
The canonical SMILES for 4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid is O=C(O)CCC(=O)OCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid?
The InChIKey is AXORHIJRMHRPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c18-16(19)9-10-17(20)21-12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h1-8,11H,9-10,12H2,(H,18,19).
What are the key properties of 4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid?
4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid has a molecular weight of 284.31 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid is sourced from PubChem (CID 123340763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).