2-(2-benzylphenoxy)-2-oxoacetic acid

C15H12O4 — CID 141025614

IUPAC2-(2-benzylphenoxy)-2-oxoacetic acid
SMILESO=C(O)C(=O)Oc1ccccc1Cc1ccccc1
InChIInChI=1S/C15H12O4/c16-14(17)15(18)19-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKeyGUOPPBUOPBBFLF-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.27
Rot. Bonds3

About 2-(2-benzylphenoxy)-2-oxoacetic acid

2-(2-benzylphenoxy)-2-oxoacetic acid (PubChem CID 141025614) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-2-oxoacetic acid
PubChem CID141025614
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name2-(2-benzylphenoxy)-2-oxoacetic acid
SMILESO=C(O)C(=O)Oc1ccccc1Cc1ccccc1
InChIInChI=1S/C15H12O4/c16-14(17)15(18)19-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKeyGUOPPBUOPBBFLF-UHFFFAOYSA-N
XLogP2.27
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-benzylphenyl) formate
CID 146231957
bis(2-benzylphenoxy)-oxophosphanium
CID 67546168
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
methyl 2-(2-benzylphenoxy)acetate
CID 43237517
2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364
[3-[(2-carboxyoxyphenyl)methyl]phenyl] phenyl carbonate
CID 175006580
(2-benzyl-4-fluorophenyl) carbamate
CID 150789163
(2-benzylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 2397583
1-benzyl-2-phenoxybenzene;phosphane
CID 174871749
(2-benzylphenyl) 2-(3-bromophenoxy)acetate
CID 7935105
(2-benzylphenyl) (2R)-2,3-dihydro-1-benzofuran-2-carboxylate
CID 36664572
2-[(2-benzylphenyl)methoxy]benzoic acid
CID 22362973

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-2-oxoacetic acid?
The IUPAC name of 2-(2-benzylphenoxy)-2-oxoacetic acid (CID 141025614) is 2-(2-benzylphenoxy)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-benzylphenoxy)-2-oxoacetic acid?
The canonical SMILES for 2-(2-benzylphenoxy)-2-oxoacetic acid is O=C(O)C(=O)Oc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylphenoxy)-2-oxoacetic acid?
The InChIKey is GUOPPBUOPBBFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-14(17)15(18)19-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17).
What are the key properties of 2-(2-benzylphenoxy)-2-oxoacetic acid?
2-(2-benzylphenoxy)-2-oxoacetic acid has a molecular weight of 256.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-2-oxoacetic acid is sourced from PubChem (CID 141025614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).