2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane

C18H20O4 — CID 143590159

IUPAC2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane
SMILESCC.CC(O)(C(=O)O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H14O4.C2H6/c1-16(20,15(18)19)13-9-5-8-12(10-13)14(17)11-6-3-2-4-7-11;1-2/h2-10,20H,1H3,(H,18,19);1-2H3
InChIKeyHDDRNARYOCGAIB-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.24
Rot. Bonds4

About 2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane

2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane (PubChem CID 143590159) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane.

Molecular Properties

Compound Name2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane
PubChem CID143590159
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane
SMILESCC.CC(O)(C(=O)O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H14O4.C2H6/c1-16(20,15(18)19)13-9-5-8-12(10-13)14(17)11-6-3-2-4-7-11;1-2/h2-10,20H,1H3,(H,18,19);1-2H3
InChIKeyHDDRNARYOCGAIB-UHFFFAOYSA-N
XLogP3.24
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
[3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone
CID 66721962
2-(3-benzoylphenyl)-2-fluoropropanedioic acid
CID 139618703
lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride
CID 159858398
methyl 2-(3-benzoylphenyl)-2-methylpropanoate
CID 54260282
[3-[3-(1-hydroxy-1-phenylethyl)phenyl]phenyl]-phenylmethanone
CID 134547269
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
2,2-dimethylpropane;diphenylmethanone
CID 159191976
diphenylmethanone;ethane
CID 158014879
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane?
The IUPAC name of 2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane (CID 143590159) is 2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane.
What is the SMILES notation for 2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane?
The canonical SMILES for 2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane is CC.CC(O)(C(=O)O)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane?
The InChIKey is HDDRNARYOCGAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4.C2H6/c1-16(20,15(18)19)13-9-5-8-12(10-13)14(17)11-6-3-2-4-7-11;1-2/h2-10,20H,1H3,(H,18,19);1-2H3.
What are the key properties of 2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane?
2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane has a molecular weight of 300.35 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylphenyl)-2-hydroxypropanoic acid;ethane is sourced from PubChem (CID 143590159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).