2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid

C16H15NO5 — CID 67924191

IUPAC2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid
SMILESCOc1ccc(C(N)=O)c(-c2ccc(OCC(=O)O)cc2)c1
InChIInChI=1S/C16H15NO5/c1-21-12-6-7-13(16(17)20)14(8-12)10-2-4-11(5-3-10)22-9-15(18)19/h2-8H,9H2,1H3,(H2,17,20)(H,18,19)
InChIKeyFZBCXZFAVHGFES-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.92
Rot. Bonds6

About 2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid

2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid (PubChem CID 67924191) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid
PubChem CID67924191
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid
SMILESCOc1ccc(C(N)=O)c(-c2ccc(OCC(=O)O)cc2)c1
InChIInChI=1S/C16H15NO5/c1-21-12-6-7-13(16(17)20)14(8-12)10-2-4-11(5-3-10)22-9-15(18)19/h2-8H,9H2,1H3,(H2,17,20)(H,18,19)
InChIKeyFZBCXZFAVHGFES-UHFFFAOYSA-N
XLogP1.92
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
2-[4-(5-amino-2-methylphenyl)phenoxy]acetic acid
CID 82039012
2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid
CID 11393975
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid
CID 66680223
2-[4-(2-hydroxyphenyl)phenoxy]acetic acid
CID 10776663
2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid
CID 82039313
1-[2-(4-fluorophenyl)-4-methoxyphenyl]propan-1-one
CID 174581854
2-methoxy-4-(2-oxopropoxy)benzamide
CID 91220438
2-[4-(2,5-difluorophenyl)phenoxy]acetic acid
CID 82039119
2-chloro-4-(4-methoxyphenyl)benzamide
CID 23360610
2-(2-fluoro-5-methoxyphenoxy)acetic acid
CID 84669223

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid (CID 67924191) is 2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid is COc1ccc(C(N)=O)c(-c2ccc(OCC(=O)O)cc2)c1.
What is the InChIKey of 2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid?
The InChIKey is FZBCXZFAVHGFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-21-12-6-7-13(16(17)20)14(8-12)10-2-4-11(5-3-10)22-9-15(18)19/h2-8H,9H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid?
2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid has a molecular weight of 301.30 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-carbamoyl-5-methoxyphenyl)phenoxy]acetic acid is sourced from PubChem (CID 67924191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).