2-(2-propanoylphenyl)benzoic acid

C16H14O3 — CID 15194783

IUPAC2-(2-propanoylphenyl)benzoic acid
SMILESCCC(=O)c1ccccc1-c1ccccc1C(=O)O
InChIInChI=1S/C16H14O3/c1-2-15(17)13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(18)19/h3-10H,2H2,1H3,(H,18,19)
InChIKeyHADRZVUQQOKDAA-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.64
Rot. Bonds4

About 2-(2-propanoylphenyl)benzoic acid

2-(2-propanoylphenyl)benzoic acid (PubChem CID 15194783) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(2-propanoylphenyl)benzoic acid.

Molecular Properties

Compound Name2-(2-propanoylphenyl)benzoic acid
PubChem CID15194783
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name2-(2-propanoylphenyl)benzoic acid
SMILESCCC(=O)c1ccccc1-c1ccccc1C(=O)O
InChIInChI=1S/C16H14O3/c1-2-15(17)13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(18)19/h3-10H,2H2,1H3,(H,18,19)
InChIKeyHADRZVUQQOKDAA-UHFFFAOYSA-N
XLogP3.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid
CID 174788541
2-(2-carboxyphenyl)benzoic acid;cobalt
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1-[2-(4-methylphenyl)phenyl]propan-1-one
CID 67873243
2-propanoylbenzoic acid;2-propylbenzoic acid
CID 159537259
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
2-[2-(2-methylpropanoyl)phenyl]benzoic acid
CID 21063785
1-[2-(1H-indol-3-yl)phenyl]propan-1-one
CID 174611519
2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid
CID 175134431
2-ethylbenzoic acid;tungsten
CID 23518478
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
2-(2-oxobutyl)benzoic acid
CID 12758327
1-[2-(bromomethyl)phenyl]propan-1-one
CID 68951080

Frequently Asked Questions

What is the IUPAC name of 2-(2-propanoylphenyl)benzoic acid?
The IUPAC name of 2-(2-propanoylphenyl)benzoic acid (CID 15194783) is 2-(2-propanoylphenyl)benzoic acid.
What is the SMILES notation for 2-(2-propanoylphenyl)benzoic acid?
The canonical SMILES for 2-(2-propanoylphenyl)benzoic acid is CCC(=O)c1ccccc1-c1ccccc1C(=O)O.
What is the InChIKey of 2-(2-propanoylphenyl)benzoic acid?
The InChIKey is HADRZVUQQOKDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-2-15(17)13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(18)19/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of 2-(2-propanoylphenyl)benzoic acid?
2-(2-propanoylphenyl)benzoic acid has a molecular weight of 254.28 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propanoylphenyl)benzoic acid is sourced from PubChem (CID 15194783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).