2-[3-(3-hydroxyanilino)phenyl]acetic acid

C14H13NO3 — CID 70009460

IUPAC2-[3-(3-hydroxyanilino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Nc2cccc(O)c2)c1
InChIInChI=1S/C14H13NO3/c16-13-6-2-5-12(9-13)15-11-4-1-3-10(7-11)8-14(17)18/h1-7,9,15-16H,8H2,(H,17,18)
InChIKeyPIFKPQGURJYBHH-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.76
Rot. Bonds4

About 2-[3-(3-hydroxyanilino)phenyl]acetic acid

2-[3-(3-hydroxyanilino)phenyl]acetic acid (PubChem CID 70009460) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[3-(3-hydroxyanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-hydroxyanilino)phenyl]acetic acid
PubChem CID70009460
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-[3-(3-hydroxyanilino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(Nc2cccc(O)c2)c1
InChIInChI=1S/C14H13NO3/c16-13-6-2-5-12(9-13)15-11-4-1-3-10(7-11)8-14(17)18/h1-7,9,15-16H,8H2,(H,17,18)
InChIKeyPIFKPQGURJYBHH-UHFFFAOYSA-N
XLogP2.76
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-methylanilino)phenyl]acetic acid
CID 155290701
2-(3-hydrazinylphenyl)acetic acid
CID 57090948
2-[3-(4-methoxyanilino)phenyl]acetic acid
CID 155289963
2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
2-[3-(2,2-dimethylpropanoylamino)phenyl]acetic acid
CID 28759434
benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid
CID 21468463
2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]acetic acid
CID 12818891
2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid
CID 23061993
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
2-[3-[(4-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 65345675

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxyanilino)phenyl]acetic acid?
The IUPAC name of 2-[3-(3-hydroxyanilino)phenyl]acetic acid (CID 70009460) is 2-[3-(3-hydroxyanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(3-hydroxyanilino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(3-hydroxyanilino)phenyl]acetic acid is O=C(O)Cc1cccc(Nc2cccc(O)c2)c1.
What is the InChIKey of 2-[3-(3-hydroxyanilino)phenyl]acetic acid?
The InChIKey is PIFKPQGURJYBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-13-6-2-5-12(9-13)15-11-4-1-3-10(7-11)8-14(17)18/h1-7,9,15-16H,8H2,(H,17,18).
What are the key properties of 2-[3-(3-hydroxyanilino)phenyl]acetic acid?
2-[3-(3-hydroxyanilino)phenyl]acetic acid has a molecular weight of 243.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-hydroxyanilino)phenyl]acetic acid is sourced from PubChem (CID 70009460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).