4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene

C22H28O4 — CID 118987420

IUPAC4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(CC2CCCC2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C22H28O4/c1-23-19-10-8-15(13-21(19)25-3)12-16-6-5-7-18(16)17-9-11-20(24-2)22(14-17)26-4/h8-11,13-14,16,18H,5-7,12H2,1-4H3
InChIKeyHMMGLTXEEXXCKT-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.85
Rot. Bonds7

About 4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene

4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene (PubChem CID 118987420) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene
PubChem CID118987420
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(CC2CCCC2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C22H28O4/c1-23-19-10-8-15(13-21(19)25-3)12-16-6-5-7-18(16)17-9-11-20(24-2)22(14-17)26-4/h8-11,13-14,16,18H,5-7,12H2,1-4H3
InChIKeyHMMGLTXEEXXCKT-UHFFFAOYSA-N
XLogP4.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026742
2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride
CID 90679135
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022910
2-[(3,4-dimethoxyphenyl)methyl]-6-[(3-methoxy-4-methylphenyl)methyl]cyclohexan-1-one
CID 20608911
[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
CID 81009542
2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropan-1-amine
CID 70068192
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane
CID 24727770
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023599

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene (CID 118987420) is 4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene is COc1ccc(CC2CCCC2c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene?
The InChIKey is HMMGLTXEEXXCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4/c1-23-19-10-8-15(13-21(19)25-3)12-16-6-5-7-18(16)17-9-11-20(24-2)22(14-17)26-4/h8-11,13-14,16,18H,5-7,12H2,1-4H3.
What are the key properties of 4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene?
4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene has a molecular weight of 356.46 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 118987420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).