[2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone

C18H20O3 — CID 23109182

IUPAC[2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1CC(O)CCCO
InChIInChI=1S/C18H20O3/c19-12-6-10-16(20)13-15-9-4-5-11-17(15)18(21)14-7-2-1-3-8-14/h1-5,7-9,11,16,19-20H,6,10,12-13H2
InChIKeyMIIJNJRJVXSBNH-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.59
Rot. Bonds7

About [2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone

[2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone (PubChem CID 23109182) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is [2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone
PubChem CID23109182
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name[2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1CC(O)CCCO
InChIInChI=1S/C18H20O3/c19-12-6-10-16(20)13-15-9-4-5-11-17(15)18(21)14-7-2-1-3-8-14/h1-5,7-9,11,16,19-20H,6,10,12-13H2
InChIKeyMIIJNJRJVXSBNH-UHFFFAOYSA-N
XLogP2.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-hydroxydodecyl)phenyl]-phenylmethanone
CID 54510367
[2-(2,3-dihydroxypropyl)phenyl]-phenylmethanone
CID 174521590
[2-(3-hydroxypropyl)phenyl]-phenylmethanone
CID 66892901
[2-(2-aminopropyl)phenyl]-phenylmethanone
CID 130367835
[2-(3-chloro-2-hydroxynonyl)phenyl]-phenylmethanone
CID 57006747
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
bis[2-(3-hydroxypropyl)phenyl]methanone
CID 54073117
phenyl-(2-prop-2-enylphenyl)methanone
CID 12026554
phenyl-(2-tridecylphenyl)methanone
CID 159151783
[2-(4-hydroxybutoxy)phenyl]-phenylmethanone
CID 166068572
[2-(10-chlorodecyl)phenyl]-phenylmethanone
CID 157301070

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone?
The IUPAC name of [2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone (CID 23109182) is [2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1CC(O)CCCO.
What is the InChIKey of [2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone?
The InChIKey is MIIJNJRJVXSBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c19-12-6-10-16(20)13-15-9-4-5-11-17(15)18(21)14-7-2-1-3-8-14/h1-5,7-9,11,16,19-20H,6,10,12-13H2.
What are the key properties of [2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone?
[2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone has a molecular weight of 284.36 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dihydroxypentyl)phenyl]-phenylmethanone is sourced from PubChem (CID 23109182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).