2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid

C17H16O5 — CID 175958924

IUPAC2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid
SMILESCOc1c(CC(=O)O)cc(CC(=O)O)cc1-c1ccccc1
InChIInChI=1S/C17H16O5/c1-22-17-13(10-16(20)21)7-11(9-15(18)19)8-14(17)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyZVBJMEAFPALFBT-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.62
Rot. Bonds6

About 2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid

2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid (PubChem CID 175958924) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid
PubChem CID175958924
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid
SMILESCOc1c(CC(=O)O)cc(CC(=O)O)cc1-c1ccccc1
InChIInChI=1S/C17H16O5/c1-22-17-13(10-16(20)21)7-11(9-15(18)19)8-14(17)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyZVBJMEAFPALFBT-UHFFFAOYSA-N
XLogP2.62
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxy-4-phenylphenyl)acetic acid
CID 4270797
2-(3,4-difluoro-5-phenylphenyl)acetic acid
CID 117372910
2-(3,5-diphenylphenyl)acetic acid
CID 20542723
2-(3-methyl-4-phenylphenyl)acetic acid
CID 18793942
2-(3-methoxy-2-nitro-4-phenylphenyl)acetic acid
CID 70196705
2-[3-fluoro-5-(2-methoxyphenyl)phenyl]acetic acid
CID 165436051
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid
CID 131870509
2-[3-[3-(2-fluorophenyl)phenyl]sulfonyl-5-methoxyphenyl]acetic acid
CID 59803433
2-[4-methoxy-3-(4-methylsulfonylphenyl)phenyl]acetic acid
CID 176513646
2-[3-(3-aminophenyl)-4-methoxyphenyl]acetic acid
CID 176513636
2-[3-chloro-4-(3-methoxyphenyl)phenyl]acetic acid
CID 176516046

Frequently Asked Questions

What is the IUPAC name of 2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid?
The IUPAC name of 2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid (CID 175958924) is 2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid.
What is the SMILES notation for 2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid?
The canonical SMILES for 2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid is COc1c(CC(=O)O)cc(CC(=O)O)cc1-c1ccccc1.
What is the InChIKey of 2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid?
The InChIKey is ZVBJMEAFPALFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-22-17-13(10-16(20)21)7-11(9-15(18)19)8-14(17)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid?
2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid has a molecular weight of 300.31 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid is sourced from PubChem (CID 175958924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).