3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one

C14H16O2 — CID 12045799

IUPAC3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one
SMILESO=C1CCC(CCCO)=C1c1ccccc1
InChIInChI=1S/C14H16O2/c15-10-4-7-12-8-9-13(16)14(12)11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10H2
InChIKeyZLNVFLKBLMMRBN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.58
Rot. Bonds4

About 3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one

3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one (PubChem CID 12045799) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one
PubChem CID12045799
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one
SMILESO=C1CCC(CCCO)=C1c1ccccc1
InChIInChI=1S/C14H16O2/c15-10-4-7-12-8-9-13(16)14(12)11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10H2
InChIKeyZLNVFLKBLMMRBN-UHFFFAOYSA-N
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-2-[3-(hydroxymethyl)phenyl]cyclopent-2-en-1-one
CID 66879208
3-(benzenesulfonylmethyl)-2-(3-hydroxypropyl)cyclopent-2-en-1-one
CID 15828858
3-butyl-2-[3-(nitrosomethyl)phenyl]cyclopent-2-en-1-one
CID 91597941
2,3-diphenylcyclohex-2-en-1-one
CID 2748361
3-butyl-2-[5-(2-butyl-5-oxocyclopenten-1-yl)thiophen-2-yl]cyclopent-2-en-1-one
CID 10937197
3-(4-methyl-3-phenylphenyl)propan-1-ol
CID 117325760
4-(4-phenylphenyl)butan-1-ol
CID 11970468
(6R)-5-butyl-6,8-diphenyl-1,3,4,6-tetrahydrocyclopenta[c]oxepin-7-one
CID 71663198
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
isocyanic acid;3-phenylpropan-1-ol
CID 174947619
2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one
CID 13027966
3-(4-phenyl-1,2-dihydropyridin-6-yl)propan-1-ol
CID 173463409

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one?
The IUPAC name of 3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one (CID 12045799) is 3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one?
The canonical SMILES for 3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one is O=C1CCC(CCCO)=C1c1ccccc1.
What is the InChIKey of 3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one?
The InChIKey is ZLNVFLKBLMMRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c15-10-4-7-12-8-9-13(16)14(12)11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10H2.
What are the key properties of 3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one?
3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one has a molecular weight of 216.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-2-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 12045799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).