2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid

C16H14O4 — CID 118797899

IUPAC2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid
SMILESO=C(O)Cc1cc(CC(=O)O)cc(-c2ccccc2)c1
InChIInChI=1S/C16H14O4/c17-15(18)9-11-6-12(10-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKeyVAGQJIBPPQRDCK-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.61
Rot. Bonds5

About 2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid

2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid (PubChem CID 118797899) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid
PubChem CID118797899
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid
SMILESO=C(O)Cc1cc(CC(=O)O)cc(-c2ccccc2)c1
InChIInChI=1S/C16H14O4/c17-15(18)9-11-6-12(10-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKeyVAGQJIBPPQRDCK-UHFFFAOYSA-N
XLogP2.61
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid?
The IUPAC name of 2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid (CID 118797899) is 2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid.
What is the SMILES notation for 2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid?
The canonical SMILES for 2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid is O=C(O)Cc1cc(CC(=O)O)cc(-c2ccccc2)c1.
What is the InChIKey of 2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid?
The InChIKey is VAGQJIBPPQRDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-15(18)9-11-6-12(10-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,17,18)(H,19,20).
What are the key properties of 2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid?
2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid has a molecular weight of 270.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carboxymethyl)-5-phenylphenyl]acetic acid is sourced from PubChem (CID 118797899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).