[(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone

C15H18O2 — CID 10242955

IUPAC[(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1O[C@H]1C1CCCCC1
InChIInChI=1S/C15H18O2/c16-13(11-7-3-1-4-8-11)15-14(17-15)12-9-5-2-6-10-12/h1,3-4,7-8,12,14-15H,2,5-6,9-10H2/t14-,15+/m0/s1
InChIKeyBZLSWYRUMORNDX-LSDHHAIUSA-N
MW230.31 g/mol
LogP3.22
Rot. Bonds3

About [(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone

[(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone (PubChem CID 10242955) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is [(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone
PubChem CID10242955
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name[(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1O[C@H]1C1CCCCC1
InChIInChI=1S/C15H18O2/c16-13(11-7-3-1-4-8-11)15-14(17-15)12-9-5-2-6-10-12/h1,3-4,7-8,12,14-15H,2,5-6,9-10H2/t14-,15+/m0/s1
InChIKeyBZLSWYRUMORNDX-LSDHHAIUSA-N
XLogP3.22
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2S,3R)-3-cyclohexyloxiran-2-yl]-(4-methoxyphenyl)methanone
CID 87794859
[(1S,2S,3R)-2-cyclohexyl-3-methylcyclopropyl]-phenylmethanone
CID 131860529
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
(2S)-1-(3-cyclohexyloxiran-2-yl)-2-(dibenzylamino)propan-1-one
CID 134928562
[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
CID 135504692
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561
(2S,3S)-2-benzoyl-3-cyclohexylspiro[cyclopropane-1,2'-indene]-1',3'-dione
CID 156784919
oxiran-2-yl(phenyl)methanone
CID 11788375
phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone
CID 126824892
(2S,3S)-3-benzoyloxirane-2-carboxamide
CID 22806306
2-benzoylcyclotridecan-1-one
CID 101422484
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone?
The IUPAC name of [(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone (CID 10242955) is [(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone.
What is the SMILES notation for [(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone?
The canonical SMILES for [(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone is O=C(c1ccccc1)[C@H]1O[C@H]1C1CCCCC1.
What is the InChIKey of [(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone?
The InChIKey is BZLSWYRUMORNDX-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H18O2/c16-13(11-7-3-1-4-8-11)15-14(17-15)12-9-5-2-6-10-12/h1,3-4,7-8,12,14-15H,2,5-6,9-10H2/t14-,15+/m0/s1.
What are the key properties of [(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone?
[(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone has a molecular weight of 230.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone is sourced from PubChem (CID 10242955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).