(3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one

C15H18O2 — CID 10353801

IUPAC(3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one
SMILESC[C@H](C(=O)c1ccccc1)[C@H]1CCCC(=O)C1
InChIInChI=1S/C15H18O2/c1-11(13-8-5-9-14(16)10-13)15(17)12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3/t11-,13-/m0/s1
InChIKeyKZRWVRSTUSMFRK-AAEUAGOBSA-N
MW230.31 g/mol
LogP3.26
Rot. Bonds3

About (3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one

(3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one (PubChem CID 10353801) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name(3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one
PubChem CID10353801
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one
SMILESC[C@H](C(=O)c1ccccc1)[C@H]1CCCC(=O)C1
InChIInChI=1S/C15H18O2/c1-11(13-8-5-9-14(16)10-13)15(17)12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3/t11-,13-/m0/s1
InChIKeyKZRWVRSTUSMFRK-AAEUAGOBSA-N
XLogP3.26
TPSA34.14 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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-1-phenylpropan-1-one
CID 104844954
3-(1-anilino-2-methylpropyl)cyclohexan-1-one
CID 138974297
2-(3-oxocyclohexyl)-2-phenylacetaldehyde
CID 87427545
2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one
CID 101241233
tert-butyl (2R)-2-[(1R)-3-oxocyclohexyl]propanoate
CID 11218403
(3S)-3-[(1S)-1-(benzenesulfonyl)-2-methylprop-2-enyl]cyclohexan-1-one
CID 10780001
(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 134997515
3-(1-nitro-4-oxo-2,4-diphenylbutyl)cyclohexan-1-one
CID 122211158
(3R)-4-methyl-3-(3-oxocyclohexyl)pentanoic acid
CID 54072750
2-cyclopentyl-3-oxo-3-phenylpropanoic acid
CID 174799211
2-amino-2-cyclobutyl-1-phenylethanone
CID 54531092
2-(1-cyclopropylethyl)-1-phenylbutane-1,3-dione
CID 118908365

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one?
The IUPAC name of (3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one (CID 10353801) is (3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one.
What is the SMILES notation for (3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one?
The canonical SMILES for (3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one is C[C@H](C(=O)c1ccccc1)[C@H]1CCCC(=O)C1.
What is the InChIKey of (3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one?
The InChIKey is KZRWVRSTUSMFRK-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H18O2/c1-11(13-8-5-9-14(16)10-13)15(17)12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of (3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one?
(3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one is sourced from PubChem (CID 10353801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).