4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid

C15H13NO5 — CID 169219514

IUPAC4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)O)c(CO)c2)cc1
InChIInChI=1S/C15H13NO5/c16-14(18)9-1-3-11(4-2-9)21-12-5-6-13(15(19)20)10(7-12)8-17/h1-7,17H,8H2,(H2,16,18)(H,19,20)
InChIKeyNKGABGSUPYNHAS-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.77
Rot. Bonds5

About 4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid

4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid (PubChem CID 169219514) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid.

Molecular Properties

Compound Name4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid
PubChem CID169219514
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)O)c(CO)c2)cc1
InChIInChI=1S/C15H13NO5/c16-14(18)9-1-3-11(4-2-9)21-12-5-6-13(15(19)20)10(7-12)8-17/h1-7,17H,8H2,(H2,16,18)(H,19,20)
InChIKeyNKGABGSUPYNHAS-UHFFFAOYSA-N
XLogP1.77
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(4-carbamoylphenoxy)benzoic acid
CID 60986679
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-[4-carboxy-3-(2-chloro-2-oxoethyl)phenoxy]-2-(2-chloro-2-oxoethyl)benzoic acid
CID 90387151
2-ethyl-4-phenoxybenzoic acid;tungsten
CID 167701074
4-[2-(hydroxymethyl)phenoxy]benzamide
CID 28946171
4-[4-fluoro-2-(hydroxymethyl)phenoxy]benzamide
CID 43313468
4-(4-hydroxyphenoxy)benzamide
CID 60869896
4-amino-3-(4-carbamoylphenoxy)benzoic acid
CID 82796681
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
4-(4-fluorophenoxy)benzamide
CID 22142233
4-(4-carboxyphenoxy)benzoic acid;2-[(2-carboxyphenyl)methyl]benzoic acid
CID 70360601
4-(4-amino-3-methylphenoxy)benzamide
CID 43381706

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid?
The IUPAC name of 4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid (CID 169219514) is 4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid.
What is the SMILES notation for 4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid?
The canonical SMILES for 4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid is NC(=O)c1ccc(Oc2ccc(C(=O)O)c(CO)c2)cc1.
What is the InChIKey of 4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid?
The InChIKey is NKGABGSUPYNHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c16-14(18)9-1-3-11(4-2-9)21-12-5-6-13(15(19)20)10(7-12)8-17/h1-7,17H,8H2,(H2,16,18)(H,19,20).
What are the key properties of 4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid?
4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid has a molecular weight of 287.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid is sourced from PubChem (CID 169219514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).