4-benzyl-2-hydroxycyclopentan-1-one

C12H14O2 — CID 12861266

IUPAC4-benzyl-2-hydroxycyclopentan-1-one
SMILESO=C1CC(Cc2ccccc2)CC1O
InChIInChI=1S/C12H14O2/c13-11-7-10(8-12(11)14)6-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2
InChIKeyUUKZLUTUAMASJK-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.57
Rot. Bonds2

About 4-benzyl-2-hydroxycyclopentan-1-one

4-benzyl-2-hydroxycyclopentan-1-one (PubChem CID 12861266) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-benzyl-2-hydroxycyclopentan-1-one.

Molecular Properties

Compound Name4-benzyl-2-hydroxycyclopentan-1-one
PubChem CID12861266
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-benzyl-2-hydroxycyclopentan-1-one
SMILESO=C1CC(Cc2ccccc2)CC1O
InChIInChI=1S/C12H14O2/c13-11-7-10(8-12(11)14)6-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2
InChIKeyUUKZLUTUAMASJK-UHFFFAOYSA-N
XLogP1.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-4-phenylbutan-2-one
CID 6428929
2-Oxo-4-phenylbutyric acid
CID 69732
5-Phenyl-2-keto-valeric acid
CID 13294447
2-Hydroxy-4-phenylbutyric acid
CID 193387
(R)-2-Hydroxy-4-phenylbutyric acid
CID 2759328
5-Hydroxy-3,4-diphenyl-2-cyclopenten-1-one
CID 279275
5-Hydroxy-1-phenyldecan-3-one
CID 57397938
5-Hydroxy-1-phenyldodecan-3-one
CID 137432120
2-Butanone, 4,4,4-trifluoro-3-hydroxy-1-phenyl-
CID 10104782
(S)-1-Phenyl-2-hydroxy-5-methyl-3-hexanone
CID 50901484
1-Hydroxy-5-phenyl-3-pentanone
CID 15316212
3-Hydroxy-1,4-diphenylbutan-2-one
CID 12704363

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-hydroxycyclopentan-1-one?
The IUPAC name of 4-benzyl-2-hydroxycyclopentan-1-one (CID 12861266) is 4-benzyl-2-hydroxycyclopentan-1-one.
What is the SMILES notation for 4-benzyl-2-hydroxycyclopentan-1-one?
The canonical SMILES for 4-benzyl-2-hydroxycyclopentan-1-one is O=C1CC(Cc2ccccc2)CC1O.
What is the InChIKey of 4-benzyl-2-hydroxycyclopentan-1-one?
The InChIKey is UUKZLUTUAMASJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-7-10(8-12(11)14)6-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2.
What are the key properties of 4-benzyl-2-hydroxycyclopentan-1-one?
4-benzyl-2-hydroxycyclopentan-1-one has a molecular weight of 190.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-hydroxycyclopentan-1-one is sourced from PubChem (CID 12861266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).