(4R)-2-butyl-4-phenylcyclopent-2-en-1-one

C15H18O — CID 11608201

IUPAC(4R)-2-butyl-4-phenylcyclopent-2-en-1-one
SMILESCCCCC1=C[C@H](c2ccccc2)CC1=O
InChIInChI=1S/C15H18O/c1-2-3-7-13-10-14(11-15(13)16)12-8-5-4-6-9-12/h4-6,8-10,14H,2-3,7,11H2,1H3/t14-/m0/s1
InChIKeyNLPOAANGEFOJIR-AWEZNQCLSA-N
MW214.31 g/mol
LogP3.86
Rot. Bonds4

About (4R)-2-butyl-4-phenylcyclopent-2-en-1-one

(4R)-2-butyl-4-phenylcyclopent-2-en-1-one (PubChem CID 11608201) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (4R)-2-butyl-4-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-2-butyl-4-phenylcyclopent-2-en-1-one
PubChem CID11608201
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(4R)-2-butyl-4-phenylcyclopent-2-en-1-one
SMILESCCCCC1=C[C@H](c2ccccc2)CC1=O
InChIInChI=1S/C15H18O/c1-2-3-7-13-10-14(11-15(13)16)12-8-5-4-6-9-12/h4-6,8-10,14H,2-3,7,11H2,1H3/t14-/m0/s1
InChIKeyNLPOAANGEFOJIR-AWEZNQCLSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-butyl-5-phenyl-2-propylcyclohex-3-en-1-one
CID 90928376
2,4-dibutylcyclopent-2-en-1-one
CID 15110256
(3-butylcyclopent-2-en-1-yl)benzene
CID 13199080
(4R)-4-hydroxy-2-pentylcyclopent-2-en-1-one
CID 13158022
2,4-diphenylcyclopent-2-en-1-one
CID 14147527
2-butyl-4-[2-(3-ethylsulfanylpropylsulfanyl)ethyl]cyclopent-2-en-1-one
CID 10447560
2-butyl-4-[3-(3-ethylsulfanylpropylsulfanyl)propyl]cyclopent-2-en-1-one
CID 10335819
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
5-(4-butylphenyl)-2-phenyl-1,3-dioxane
CID 141451860
(3-hexylcyclohex-2-en-1-yl)benzene
CID 100958783
1-butyl-4-phenylpiperidine-2,6-dione
CID 58822038
butylbenzene;carbonic acid
CID 158278492

Frequently Asked Questions

What is the IUPAC name of (4R)-2-butyl-4-phenylcyclopent-2-en-1-one?
The IUPAC name of (4R)-2-butyl-4-phenylcyclopent-2-en-1-one (CID 11608201) is (4R)-2-butyl-4-phenylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-2-butyl-4-phenylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-2-butyl-4-phenylcyclopent-2-en-1-one is CCCCC1=C[C@H](c2ccccc2)CC1=O.
What is the InChIKey of (4R)-2-butyl-4-phenylcyclopent-2-en-1-one?
The InChIKey is NLPOAANGEFOJIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18O/c1-2-3-7-13-10-14(11-15(13)16)12-8-5-4-6-9-12/h4-6,8-10,14H,2-3,7,11H2,1H3/t14-/m0/s1.
What are the key properties of (4R)-2-butyl-4-phenylcyclopent-2-en-1-one?
(4R)-2-butyl-4-phenylcyclopent-2-en-1-one has a molecular weight of 214.31 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-butyl-4-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 11608201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).