4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid

C15H12O5 — CID 167952016

IUPAC4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid
SMILESO=C(O)Cc1cccc(-c2ccc(C(=O)O)c(O)c2)c1
InChIInChI=1S/C15H12O5/c16-13-8-11(4-5-12(13)15(19)20)10-3-1-2-9(6-10)7-14(17)18/h1-6,8,16H,7H2,(H,17,18)(H,19,20)
InChIKeyDQWDLBGNBHNTMN-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.38
Rot. Bonds4

About 4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid

4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid (PubChem CID 167952016) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid
PubChem CID167952016
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid
SMILESO=C(O)Cc1cccc(-c2ccc(C(=O)O)c(O)c2)c1
InChIInChI=1S/C15H12O5/c16-13-8-11(4-5-12(13)15(19)20)10-3-1-2-9(6-10)7-14(17)18/h1-6,8,16H,7H2,(H,17,18)(H,19,20)
InChIKeyDQWDLBGNBHNTMN-UHFFFAOYSA-N
XLogP2.38
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
4-(3-aminophenyl)-2-hydroxybenzoic acid
CID 53224908
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
CID 1392718
2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890
2-hydroxy-4-naphthalen-2-ylbenzoic acid
CID 53226801
4-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzoic acid
CID 53227834
2-(2-hydroxy-4-phenylbenzoyl)benzoic acid
CID 18006881
2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid
CID 10449655
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118342919
2-[3-[4-(1,2-diaminoethyl)phenyl]phenyl]acetic acid
CID 170894464

Frequently Asked Questions

What is the IUPAC name of 4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid (CID 167952016) is 4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid is O=C(O)Cc1cccc(-c2ccc(C(=O)O)c(O)c2)c1.
What is the InChIKey of 4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid?
The InChIKey is DQWDLBGNBHNTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c16-13-8-11(4-5-12(13)15(19)20)10-3-1-2-9(6-10)7-14(17)18/h1-6,8,16H,7H2,(H,17,18)(H,19,20).
What are the key properties of 4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid?
4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 167952016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).