2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid

C17H14O5 — CID 148651840

IUPAC2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid
SMILESO=C(CO)c1ccc(CC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H14O5/c18-10-16(20)12-7-5-11(6-8-12)9-15(19)13-3-1-2-4-14(13)17(21)22/h1-8,18H,9-10H2,(H,21,22)
InChIKeyNMBHFADVBBWRMD-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.99
Rot. Bonds6

About 2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid

2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid (PubChem CID 148651840) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid
PubChem CID148651840
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid
SMILESO=C(CO)c1ccc(CC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H14O5/c18-10-16(20)12-7-5-11(6-8-12)9-15(19)13-3-1-2-4-14(13)17(21)22/h1-8,18H,9-10H2,(H,21,22)
InChIKeyNMBHFADVBBWRMD-UHFFFAOYSA-N
XLogP1.99
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(trifluoromethyl)phenyl]acetyl]benzoic acid
CID 159416871
methanediol;phthalic acid
CID 70525231
2-[2-[4-(3-amino-3-oxopropyl)phenyl]acetyl]benzoic acid
CID 161255029
2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid
CID 153222498
benzene;2-hydroxy-1-phenylethanone
CID 174663024
5-[2-(2-carboxyphenyl)-2-oxoethyl]-2-fluorobenzoic acid
CID 153291500
2-[2-[4-(difluoromethoxy)phenyl]acetyl]benzoic acid
CID 147173854
2-[4-(hydroxymethyl)phenyl]-1-(2-hydroxyphenyl)ethanone
CID 161011809
azane;2-hydroxy-1-phenylethanone
CID 161228887
4-phenacylbenzoyl iodide
CID 142013538
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
2-[2-(3-acetyl-4-fluorophenyl)acetyl]benzoic acid
CID 157251929

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid?
The IUPAC name of 2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid (CID 148651840) is 2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid.
What is the SMILES notation for 2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid?
The canonical SMILES for 2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid is O=C(CO)c1ccc(CC(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid?
The InChIKey is NMBHFADVBBWRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c18-10-16(20)12-7-5-11(6-8-12)9-15(19)13-3-1-2-4-14(13)17(21)22/h1-8,18H,9-10H2,(H,21,22).
What are the key properties of 2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid?
2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid has a molecular weight of 298.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid is sourced from PubChem (CID 148651840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).