[2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone

C16H16O3 — CID 174521590

IUPAC[2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1CC(O)CO
InChIInChI=1S/C16H16O3/c17-11-14(18)10-13-8-4-5-9-15(13)16(19)12-6-2-1-3-7-12/h1-9,14,17-18H,10-11H2
InChIKeyUBIMFGFLEKFVQN-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.81
Rot. Bonds5

About [2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone

[2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone (PubChem CID 174521590) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is [2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone
PubChem CID174521590
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name[2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1CC(O)CO
InChIInChI=1S/C16H16O3/c17-11-14(18)10-13-8-4-5-9-15(13)16(19)12-6-2-1-3-7-12/h1-9,14,17-18H,10-11H2
InChIKeyUBIMFGFLEKFVQN-UHFFFAOYSA-N
XLogP1.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone
CID 23109182
[2-(2-hydroxydodecyl)phenyl]-phenylmethanone
CID 54510367
2-(2,3-dihydroxypropyl)benzamide
CID 163691147
[2-(2-aminopropyl)phenyl]-phenylmethanone
CID 130367835
[2-(3-hydroxypropyl)phenyl]-phenylmethanone
CID 66892901
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
benzoic acid;bis(propane-1,2,3-triol)
CID 68987923
phenyl-[2-(1,2,3-trihydroxypropyl)phenyl]methanone
CID 170818848
3-(2-phenylphenyl)propane-1,2-diol
CID 154118569
phenyl-(2-prop-2-enylphenyl)methanone
CID 12026554
[2-(3-chloro-2-hydroxynonyl)phenyl]-phenylmethanone
CID 57006747

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone?
The IUPAC name of [2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone (CID 174521590) is [2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1CC(O)CO.
What is the InChIKey of [2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone?
The InChIKey is UBIMFGFLEKFVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-11-14(18)10-13-8-4-5-9-15(13)16(19)12-6-2-1-3-7-12/h1-9,14,17-18H,10-11H2.
What are the key properties of [2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone?
[2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone has a molecular weight of 256.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone is sourced from PubChem (CID 174521590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).