2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid

C16H14O5 — CID 57045753

IUPAC2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid
SMILESO=C(O)C(=O)OCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H14O5/c17-15(18)16(19)21-11-13-6-8-14(9-7-13)20-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyORVSPPBZBWHIKS-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.39
Rot. Bonds5

About 2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid

2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid (PubChem CID 57045753) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid
PubChem CID57045753
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid
SMILESO=C(O)C(=O)OCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H14O5/c17-15(18)16(19)21-11-13-6-8-14(9-7-13)20-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyORVSPPBZBWHIKS-UHFFFAOYSA-N
XLogP2.39
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid
CID 563772
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
4-phenylmethoxybenzoic acid
CID 68896574
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
[4-[2-[4-(benzoyloxymethyl)phenoxy]ethoxy]phenyl]methyl benzoate
CID 175261342
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
4-phenylmethoxybenzoyl fluoride
CID 154719359
4-phenylmethoxyaniline
CID 159966727

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid?
The IUPAC name of 2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid (CID 57045753) is 2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid.
What is the SMILES notation for 2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid?
The canonical SMILES for 2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid is O=C(O)C(=O)OCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid?
The InChIKey is ORVSPPBZBWHIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c17-15(18)16(19)21-11-13-6-8-14(9-7-13)20-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of 2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid?
2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid has a molecular weight of 286.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid is sourced from PubChem (CID 57045753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).