phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone

C16H16O4 — CID 170818848

IUPACphenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccccc1C(O)C(O)CO
InChIInChI=1S/C16H16O4/c17-10-14(18)16(20)13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-9,14,16-18,20H,10H2
InChIKeyLWBOHNPRLNVIOL-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.30
Rot. Bonds5

About phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone

phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone (PubChem CID 170818848) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone
PubChem CID170818848
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namephenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccccc1C(O)C(O)CO
InChIInChI=1S/C16H16O4/c17-10-14(18)16(20)13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-9,14,16-18,20H,10H2
InChIKeyLWBOHNPRLNVIOL-UHFFFAOYSA-N
XLogP1.30
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-benzoylphenyl)-3,4-dihydroxybutanoic acid
CID 171878688
ethyl 4-(2-benzoylphenyl)-3,4-dihydroxybutanoate
CID 171898395
methyl 3-(2-benzoylphenyl)-2,3-dihydroxypropanoate
CID 171865066
[2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone
CID 174521590
(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 23128537
3-(2-benzoylphenyl)butan-2-one
CID 69061840
1-(2-ethenylphenyl)propane-1,2,3-triol
CID 170817426
2-(4-amino-1,2-dihydroxybutyl)benzoic acid
CID 171881130
2-(1,2,3-trihydroxypropyl)terephthalic acid
CID 170818688
[2-(1-aminoprop-2-ynyl)phenyl]-phenylmethanone
CID 57243975
[2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone
CID 139607341
[2-[[amino(naphthalen-1-yl)methyl]amino]phenyl]-phenylmethanone
CID 110827243

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone?
The IUPAC name of phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone (CID 170818848) is phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone.
What is the SMILES notation for phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone?
The canonical SMILES for phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone is O=C(c1ccccc1)c1ccccc1C(O)C(O)CO.
What is the InChIKey of phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone?
The InChIKey is LWBOHNPRLNVIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c17-10-14(18)16(20)13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-9,14,16-18,20H,10H2.
What are the key properties of phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone?
phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone has a molecular weight of 272.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone is sourced from PubChem (CID 170818848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).