[2-(3-hydroxypropyl)phenyl]-phenylmethanone

C16H16O2 — CID 66892901

IUPAC[2-(3-hydroxypropyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1CCCO
InChIInChI=1S/C16H16O2/c17-12-6-10-13-7-4-5-11-15(13)16(18)14-8-2-1-3-9-14/h1-5,7-9,11,17H,6,10,12H2
InChIKeyLLMJPMVOOFMTKY-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.84
Rot. Bonds5

About [2-(3-hydroxypropyl)phenyl]-phenylmethanone

[2-(3-hydroxypropyl)phenyl]-phenylmethanone (PubChem CID 66892901) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is [2-(3-hydroxypropyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(3-hydroxypropyl)phenyl]-phenylmethanone
PubChem CID66892901
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name[2-(3-hydroxypropyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1CCCO
InChIInChI=1S/C16H16O2/c17-12-6-10-13-7-4-5-11-15(13)16(18)14-8-2-1-3-9-14/h1-5,7-9,11,17H,6,10,12H2
InChIKeyLLMJPMVOOFMTKY-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis[2-(3-hydroxypropyl)phenyl]methanone
CID 54073117
phenyl-(2-tridecylphenyl)methanone
CID 159151783
[2-(10-chlorodecyl)phenyl]-phenylmethanone
CID 157301070
[2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone
CID 23109182
phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone
CID 141118396
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
[2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone
CID 174521590
3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
CID 159477201
(2-hexylphenyl)-(4-phenylphenyl)methanone
CID 151469512
1-[2-(4-hydroxybutyl)phenyl]ethanone
CID 14995224
[2-(2-aminopropyl)phenyl]-phenylmethanone
CID 130367835

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxypropyl)phenyl]-phenylmethanone?
The IUPAC name of [2-(3-hydroxypropyl)phenyl]-phenylmethanone (CID 66892901) is [2-(3-hydroxypropyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(3-hydroxypropyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(3-hydroxypropyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1CCCO.
What is the InChIKey of [2-(3-hydroxypropyl)phenyl]-phenylmethanone?
The InChIKey is LLMJPMVOOFMTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c17-12-6-10-13-7-4-5-11-15(13)16(18)14-8-2-1-3-9-14/h1-5,7-9,11,17H,6,10,12H2.
What are the key properties of [2-(3-hydroxypropyl)phenyl]-phenylmethanone?
[2-(3-hydroxypropyl)phenyl]-phenylmethanone has a molecular weight of 240.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxypropyl)phenyl]-phenylmethanone is sourced from PubChem (CID 66892901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).