4-(2-acetamidophenoxy)-3-methylbenzoic acid

C16H15NO4 — CID 62120796

IUPAC4-(2-acetamidophenoxy)-3-methylbenzoic acid
SMILESCC(=O)Nc1ccccc1Oc1ccc(C(=O)O)cc1C
InChIInChI=1S/C16H15NO4/c1-10-9-12(16(19)20)7-8-14(10)21-15-6-4-3-5-13(15)17-11(2)18/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyDVSOZMBTYDKVBA-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.44
Rot. Bonds4

About 4-(2-acetamidophenoxy)-3-methylbenzoic acid

4-(2-acetamidophenoxy)-3-methylbenzoic acid (PubChem CID 62120796) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(2-acetamidophenoxy)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(2-acetamidophenoxy)-3-methylbenzoic acid
PubChem CID62120796
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-(2-acetamidophenoxy)-3-methylbenzoic acid
SMILESCC(=O)Nc1ccccc1Oc1ccc(C(=O)O)cc1C
InChIInChI=1S/C16H15NO4/c1-10-9-12(16(19)20)7-8-14(10)21-15-6-4-3-5-13(15)17-11(2)18/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyDVSOZMBTYDKVBA-UHFFFAOYSA-N
XLogP3.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyphenoxy)-3-methylbenzoic acid
CID 62120451
4-(2-ethoxyphenoxy)-3-methylbenzoic acid
CID 62121144
N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]phenyl]acetamide
CID 83268145
N-[2-(2-carbamothioyl-4-methylphenoxy)phenyl]acetamide
CID 107929518
4-(3-chloro-2-cyanophenoxy)-3-methylbenzoic acid
CID 107672821
4-cinnolin-4-yloxy-3-methylbenzoic acid
CID 107672871
(2-acetamidophenyl) hypochlorite
CID 150463309
3,4-diacetamidobenzoic acid
CID 2735923
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
4-(2-cyano-4-methylphenoxy)-3-methylbenzoic acid
CID 107931920
N-[2-[2-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62502106
N-[2-[2-(aminomethyl)-6-methylphenoxy]phenyl]acetamide
CID 107105915

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidophenoxy)-3-methylbenzoic acid?
The IUPAC name of 4-(2-acetamidophenoxy)-3-methylbenzoic acid (CID 62120796) is 4-(2-acetamidophenoxy)-3-methylbenzoic acid.
What is the SMILES notation for 4-(2-acetamidophenoxy)-3-methylbenzoic acid?
The canonical SMILES for 4-(2-acetamidophenoxy)-3-methylbenzoic acid is CC(=O)Nc1ccccc1Oc1ccc(C(=O)O)cc1C.
What is the InChIKey of 4-(2-acetamidophenoxy)-3-methylbenzoic acid?
The InChIKey is DVSOZMBTYDKVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-9-12(16(19)20)7-8-14(10)21-15-6-4-3-5-13(15)17-11(2)18/h3-9H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-(2-acetamidophenoxy)-3-methylbenzoic acid?
4-(2-acetamidophenoxy)-3-methylbenzoic acid has a molecular weight of 285.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidophenoxy)-3-methylbenzoic acid is sourced from PubChem (CID 62120796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).