(3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one

C20H22O3 — CID 134963199

IUPAC(3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one
SMILESCOc1ccc([C@@]2(c3cccc(OC)c3)CCCC(=O)C2)cc1
InChIInChI=1S/C20H22O3/c1-22-18-10-8-15(9-11-18)20(12-4-6-17(21)14-20)16-5-3-7-19(13-16)23-2/h3,5,7-11,13H,4,6,12,14H2,1-2H3/t20-/m1/s1
InChIKeyQTHRXYAMBNEZCW-HXUWFJFHSA-N
MW310.39 g/mol
LogP4.13
Rot. Bonds4

About (3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one

(3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one (PubChem CID 134963199) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is (3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one
PubChem CID134963199
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name(3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one
SMILESCOc1ccc([C@@]2(c3cccc(OC)c3)CCCC(=O)C2)cc1
InChIInChI=1S/C20H22O3/c1-22-18-10-8-15(9-11-18)20(12-4-6-17(21)14-20)16-5-3-7-19(13-16)23-2/h3,5,7-11,13H,4,6,12,14H2,1-2H3/t20-/m1/s1
InChIKeyQTHRXYAMBNEZCW-HXUWFJFHSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-2-methylcyclopentan-1-one
CID 14565708
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
(3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one
CID 102232708
2-(3-methoxyphenyl)-2-methylcyclohexan-1-one
CID 20571960
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
[3-[1-(3-methoxyphenyl)cyclohexyl]phenyl] acetate
CID 20746508
(2S)-2-(3-methoxyphenyl)-2-prop-2-enylcyclohexan-1-one
CID 135043755
(1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one
CID 16756620
[4-[1-(4-methoxyphenyl)cyclododecyl]phenyl] 3-acetylbenzoate
CID 153428107
(3R)-3-amino-3-(3-methoxyphenyl)oxan-2-one
CID 153363676
(3S)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)cyclohexan-1-one
CID 134963193
(4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,7,8,8a-octahydroisoquinolin-6-one;ethene
CID 70577141

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one?
The IUPAC name of (3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one (CID 134963199) is (3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one.
What is the SMILES notation for (3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one?
The canonical SMILES for (3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one is COc1ccc([C@@]2(c3cccc(OC)c3)CCCC(=O)C2)cc1.
What is the InChIKey of (3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one?
The InChIKey is QTHRXYAMBNEZCW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22O3/c1-22-18-10-8-15(9-11-18)20(12-4-6-17(21)14-20)16-5-3-7-19(13-16)23-2/h3,5,7-11,13H,4,6,12,14H2,1-2H3/t20-/m1/s1.
What are the key properties of (3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one?
(3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one has a molecular weight of 310.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one is sourced from PubChem (CID 134963199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).