(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one

C14H18O — CID 134922507

IUPAC(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one
SMILESC[C@H](c1ccccc1)[C@H]1CCCCC1=O
InChIInChI=1S/C14H18O/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13-/m1/s1
InChIKeyMFXNAZPPFACNCG-DGCLKSJQSA-N
MW202.30 g/mol
LogP3.55
Rot. Bonds2

About (2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one

(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one (PubChem CID 134922507) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one
PubChem CID134922507
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one
SMILESC[C@H](c1ccccc1)[C@H]1CCCCC1=O
InChIInChI=1S/C14H18O/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13-/m1/s1
InChIKeyMFXNAZPPFACNCG-DGCLKSJQSA-N
XLogP3.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-oxocyclohexyl)-2-phenylacetic acid
CID 13284199
(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
2-(1-thiophen-3-ylethyl)cyclohexan-1-one
CID 135025277
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
(2S)-2-[(R)-nitro(phenyl)methyl]cyclohexan-1-one
CID 102034821
(2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one
CID 948246
(3S)-2,2-dimethyl-3-[(1R)-2-oxocyclohexyl]-3-phenylpropanoic acid
CID 7056707
(2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one
CID 101013744
(2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one
CID 101375640
2-[(2-oxocycloheptyl)-phenylmethyl]propanedinitrile
CID 122372610
(2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one
CID 134922324
4-(1-phenylethyl)cyclopentane-1,3-dione
CID 58697779

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one (CID 134922507) is (2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one is C[C@H](c1ccccc1)[C@H]1CCCCC1=O.
What is the InChIKey of (2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one?
The InChIKey is MFXNAZPPFACNCG-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H18O/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-,13-/m1/s1.
What are the key properties of (2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one?
(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one is sourced from PubChem (CID 134922507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).