2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one

C24H30O4 — CID 20608911

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one
SMILESCOc1cc(CC2CCCC(Cc3ccc(OC)c(OC)c3)C2=O)ccc1C
InChIInChI=1S/C24H30O4/c1-16-8-9-17(14-22(16)27-3)12-19-6-5-7-20(24(19)25)13-18-10-11-21(26-2)23(15-18)28-4/h8-11,14-15,19-20H,5-7,12-13H2,1-4H3
InChIKeyVRGYJXNUCVQSPE-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.79
Rot. Bonds7

About 2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one

2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one (PubChem CID 20608911) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one
PubChem CID20608911
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one
SMILESCOc1cc(CC2CCCC(Cc3ccc(OC)c(OC)c3)C2=O)ccc1C
InChIInChI=1S/C24H30O4/c1-16-8-9-17(14-22(16)27-3)12-19-6-5-7-20(24(19)25)13-18-10-11-21(26-2)23(15-18)28-4/h8-11,14-15,19-20H,5-7,12-13H2,1-4H3
InChIKeyVRGYJXNUCVQSPE-UHFFFAOYSA-N
XLogP4.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6E)-2-[(3,4-dimethylphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methylidene]cyclohexan-1-one
CID 163302819
4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene
CID 118987420
5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 10334619
[(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate
CID 96523533
2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 146135252
2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride
CID 90679135
9-[3-(3,4-dimethoxyphenyl)propyl]-9-borabicyclo[3.3.1]nonane
CID 14172418
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
trans-(2S,6S)-2,6-bis[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-one
CID 95387471
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 110289562
(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2254425

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one (CID 20608911) is 2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one is COc1cc(CC2CCCC(Cc3ccc(OC)c(OC)c3)C2=O)ccc1C.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one?
The InChIKey is VRGYJXNUCVQSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-16-8-9-17(14-22(16)27-3)12-19-6-5-7-20(24(19)25)13-18-10-11-21(26-2)23(15-18)28-4/h8-11,14-15,19-20H,5-7,12-13H2,1-4H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one?
2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one has a molecular weight of 382.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 20608911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).