2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid

C16H17NO4 — CID 60990827

IUPAC2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
SMILESCOc1ccc(C(Nc2ccccc2C)C(=O)O)cc1O
InChIInChI=1S/C16H17NO4/c1-10-5-3-4-6-12(10)17-15(16(19)20)11-7-8-14(21-2)13(18)9-11/h3-9,15,17-18H,1-2H3,(H,19,20)
InChIKeyQOJJXTBMCNPLRU-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.95
Rot. Bonds5

About 2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid

2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid (PubChem CID 60990827) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
PubChem CID60990827
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
SMILESCOc1ccc(C(Nc2ccccc2C)C(=O)O)cc1O
InChIInChI=1S/C16H17NO4/c1-10-5-3-4-6-12(10)17-15(16(19)20)11-7-8-14(21-2)13(18)9-11/h3-9,15,17-18H,1-2H3,(H,19,20)
InChIKeyQOJJXTBMCNPLRU-UHFFFAOYSA-N
XLogP2.95
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60991250
2-(3-chloro-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 65026303
2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62132447
2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62131190
5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol
CID 61047518
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 106817671
2-(3-bromo-4-methylphenyl)-2-(2-methylanilino)acetic acid
CID 105401888
2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60992204
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylanilino)acetamide
CID 65096149
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
2-[4-(difluoromethyl)phenyl]-2-(2-methylanilino)acetic acid
CID 115524516

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid?
The IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid (CID 60990827) is 2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid?
The canonical SMILES for 2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid is COc1ccc(C(Nc2ccccc2C)C(=O)O)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid?
The InChIKey is QOJJXTBMCNPLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-5-3-4-6-12(10)17-15(16(19)20)11-7-8-14(21-2)13(18)9-11/h3-9,15,17-18H,1-2H3,(H,19,20).
What are the key properties of 2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid?
2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid has a molecular weight of 287.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid is sourced from PubChem (CID 60990827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).