(2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one

C27H26O2 — CID 102069160

IUPAC(2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one
SMILESO=C(C[C@H](c1ccccc1)[C@@]1(c2ccccc2)CCCCC1=O)c1ccccc1
InChIInChI=1S/C27H26O2/c28-25(22-14-6-2-7-15-22)20-24(21-12-4-1-5-13-21)27(19-11-10-18-26(27)29)23-16-8-3-9-17-23/h1-9,12-17,24H,10-11,18-20H2/t24-,27+/m1/s1
InChIKeyQSVBQOIXXKRILW-SQHAQQRYSA-N
MW382.50 g/mol
LogP6.12
Rot. Bonds6

About (2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one

(2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one (PubChem CID 102069160) has the molecular formula C27H26O2 and a molecular weight of 382.50 g/mol. Its IUPAC name is (2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one
PubChem CID102069160
Molecular FormulaC27H26O2
Molecular Weight382.50 g/mol
Exact Mass382.19
IUPAC Name(2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one
SMILESO=C(C[C@H](c1ccccc1)[C@@]1(c2ccccc2)CCCCC1=O)c1ccccc1
InChIInChI=1S/C27H26O2/c28-25(22-14-6-2-7-15-22)20-24(21-12-4-1-5-13-21)27(19-11-10-18-26(27)29)23-16-8-3-9-17-23/h1-9,12-17,24H,10-11,18-20H2/t24-,27+/m1/s1
InChIKeyQSVBQOIXXKRILW-SQHAQQRYSA-N
XLogP6.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one
CID 163598073
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
2-hydroxy-2-phenacylcyclohexane-1,3-dione
CID 102358186
(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
(2S)-2-hydroxy-2-phenylcyclopentan-1-one
CID 101445109
2-(bromomethyl)-2-phenylcyclotridecan-1-one
CID 132609011
2-acetyl-2-(1-phenylethyl)cyclohexan-1-one
CID 135038981
2-(1-bromoethenyl)-2-phenylcyclohexan-1-one
CID 102390499
(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclohexan-1-one
CID 101389868
2-benzoyl-2-prop-2-enylcyclohexan-1-one
CID 11736648
2-bromo-2-[bromo(phenyl)methyl]cyclohexan-1-one
CID 15252359

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one?
The IUPAC name of (2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one (CID 102069160) is (2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one?
The canonical SMILES for (2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one is O=C(C[C@H](c1ccccc1)[C@@]1(c2ccccc2)CCCCC1=O)c1ccccc1.
What is the InChIKey of (2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one?
The InChIKey is QSVBQOIXXKRILW-SQHAQQRYSA-N. The full InChI is InChI=1S/C27H26O2/c28-25(22-14-6-2-7-15-22)20-24(21-12-4-1-5-13-21)27(19-11-10-18-26(27)29)23-16-8-3-9-17-23/h1-9,12-17,24H,10-11,18-20H2/t24-,27+/m1/s1.
What are the key properties of (2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one?
(2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one has a molecular weight of 382.50 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-3-oxo-1,3-diphenylpropyl]-2-phenylcyclohexan-1-one is sourced from PubChem (CID 102069160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).