2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid

C15H15NO3 — CID 54890022

IUPAC2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid
SMILESCc1ccc(NC(C(=O)O)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H15NO3/c1-10-2-6-12(7-3-10)16-14(15(18)19)11-4-8-13(17)9-5-11/h2-9,14,16-17H,1H3,(H,18,19)
InChIKeyRPZAKAGDAJIVEQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.94
Rot. Bonds4

About 2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid

2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid (PubChem CID 54890022) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid
PubChem CID54890022
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid
SMILESCc1ccc(NC(C(=O)O)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H15NO3/c1-10-2-6-12(7-3-10)16-14(15(18)19)11-4-8-13(17)9-5-11/h2-9,14,16-17H,1H3,(H,18,19)
InChIKeyRPZAKAGDAJIVEQ-UHFFFAOYSA-N
XLogP2.94
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromoanilino)-2-(4-hydroxyphenyl)acetic acid
CID 54890913
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
(2S)-2-(4-methylanilino)-1,2-diphenylethanone
CID 36689295
2-(3,5-dimethylanilino)-2-(4-fluorophenyl)acetic acid
CID 82021415
2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide
CID 115524448
(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369
(2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate
CID 7152564
(2R)-2-(4-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 7148164
2-(4-tert-butylanilino)-2-phenylacetic acid
CID 103232176
2-[4-(difluoromethyl)phenyl]-2-(4-fluoroanilino)acetic acid
CID 115524519
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414
methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid (CID 54890022) is 2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid is Cc1ccc(NC(C(=O)O)c2ccc(O)cc2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid?
The InChIKey is RPZAKAGDAJIVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-2-6-12(7-3-10)16-14(15(18)19)11-4-8-13(17)9-5-11/h2-9,14,16-17H,1H3,(H,18,19).
What are the key properties of 2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid?
2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid has a molecular weight of 257.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid is sourced from PubChem (CID 54890022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).