3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one

C22H24O4 — CID 135072532

IUPAC3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one
SMILESCOC1=CC(=O)C(Cc2ccc(OC)cc2)(c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H24O4/c1-24-18-8-4-16(5-9-18)15-22(13-12-20(26-3)14-21(22)23)17-6-10-19(25-2)11-7-17/h4-11,14H,12-13,15H2,1-3H3
InChIKeyOTRKZDUEIBZYDQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.08
Rot. Bonds6

About 3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one

3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one (PubChem CID 135072532) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one
PubChem CID135072532
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one
SMILESCOC1=CC(=O)C(Cc2ccc(OC)cc2)(c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H24O4/c1-24-18-8-4-16(5-9-18)15-22(13-12-20(26-3)14-21(22)23)17-6-10-19(25-2)11-7-17/h4-11,14H,12-13,15H2,1-3H3
InChIKeyOTRKZDUEIBZYDQ-UHFFFAOYSA-N
XLogP4.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-ethoxy-1-[(4-methoxyphenyl)methyl]-2-oxocyclohex-3-en-1-yl]acetate
CID 135072529
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
(4aS)-4a-benzyl-7-methoxy-3,4,9,10-tetrahydrophenanthren-2-one
CID 11726899
(6S)-6-(bromomethyl)-6-(4-methoxyphenyl)oxan-2-one
CID 102342730
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69475295
2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione
CID 56689373
N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 147734496
1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 70921631
ethane;2-ethyl-2-[[4-(2-ethyl-4-methoxyphenyl)phenyl]methyl]cyclobutan-1-one
CID 143874775
ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 178099838
(5R)-5-(4-methoxyphenyl)-5-(2,2,2-trifluoroethyl)oxolan-2-one
CID 122380842

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one?
The IUPAC name of 3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one (CID 135072532) is 3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one is COC1=CC(=O)C(Cc2ccc(OC)cc2)(c2ccc(OC)cc2)CC1.
What is the InChIKey of 3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one?
The InChIKey is OTRKZDUEIBZYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-24-18-8-4-16(5-9-18)15-22(13-12-20(26-3)14-21(22)23)17-6-10-19(25-2)11-7-17/h4-11,14H,12-13,15H2,1-3H3.
What are the key properties of 3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one?
3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one has a molecular weight of 352.43 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one is sourced from PubChem (CID 135072532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).