(2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one

C22H24O3 — CID 867578

IUPAC(2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one
SMILESCOc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H]2CCCCC2=O)cc1
InChIInChI=1S/C22H24O3/c1-25-18-13-11-17(12-14-18)22(24)15-20(16-7-3-2-4-8-16)19-9-5-6-10-21(19)23/h2-4,7-8,11-14,19-20H,5-6,9-10,15H2,1H3/t19-,20+/m1/s1
InChIKeyAEPJJSIKAPYQBL-UXHICEINSA-N
MW336.43 g/mol
LogP4.81
Rot. Bonds6

About (2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one

(2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one (PubChem CID 867578) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is (2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one
PubChem CID867578
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name(2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one
SMILESCOc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H]2CCCCC2=O)cc1
InChIInChI=1S/C22H24O3/c1-25-18-13-11-17(12-14-18)22(24)15-20(16-7-3-2-4-8-16)19-9-5-6-10-21(19)23/h2-4,7-8,11-14,19-20H,5-6,9-10,15H2,1H3/t19-,20+/m1/s1
InChIKeyAEPJJSIKAPYQBL-UXHICEINSA-N
XLogP4.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one
CID 12542865
(2S)-2-[(1S)-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]cyclohexan-1-one
CID 56839839
(2S)-2-[(1R)-3-(3-chlorophenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one
CID 102230840
dibenzyl 2-[2-(4-methoxyphenyl)-2-(2-oxocyclohexyl)ethyl]propanedioate
CID 102390284
(2S)-2-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]cyclohexan-1-one
CID 11594291
2-[(4-methoxyanilino)-phenylmethyl]cycloheptan-1-one
CID 101057458
2-(4-methoxybenzoyl)(113C)cyclohexan-1-one
CID 102598154
[2-methyl-1-(2-oxocyclohexyl)propyl] 4-methoxybenzoate
CID 101456370
2-[1-(2,4-dichlorophenyl)-3-oxo-3-phenylpropyl]cyclooctan-1-one
CID 4711478
2-(2-oxocyclohexyl)-2-phenylacetic acid
CID 13284199
cis-(2S,6S)-2-[(1S)-3-oxo-1,3-diphenylpropyl]-6-phenylcyclohexan-1-one
CID 102426284
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one (CID 867578) is (2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one is COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H]2CCCCC2=O)cc1.
What is the InChIKey of (2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one?
The InChIKey is AEPJJSIKAPYQBL-UXHICEINSA-N. The full InChI is InChI=1S/C22H24O3/c1-25-18-13-11-17(12-14-18)22(24)15-20(16-7-3-2-4-8-16)19-9-5-6-10-21(19)23/h2-4,7-8,11-14,19-20H,5-6,9-10,15H2,1H3/t19-,20+/m1/s1.
What are the key properties of (2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one?
(2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one has a molecular weight of 336.43 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclohexan-1-one is sourced from PubChem (CID 867578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).