1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene

C18H22O2 — CID 90949774

IUPAC1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene
SMILESCOc1ccc(CCCc2cccc(C)c2)cc1OC
InChIInChI=1S/C18H22O2/c1-14-6-4-7-15(12-14)8-5-9-16-10-11-17(19-2)18(13-16)20-3/h4,6-7,10-13H,5,8-9H2,1-3H3
InChIKeyGMRYYBVYWCXAOZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.19
Rot. Bonds6

About 1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene

1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene (PubChem CID 90949774) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene
PubChem CID90949774
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene
SMILESCOc1ccc(CCCc2cccc(C)c2)cc1OC
InChIInChI=1S/C18H22O2/c1-14-6-4-7-15(12-14)8-5-9-16-10-11-17(19-2)18(13-16)20-3/h4,6-7,10-13H,5,8-9H2,1-3H3
InChIKeyGMRYYBVYWCXAOZ-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
4-(4-iodobutyl)-1,2-dimethoxybenzene
CID 86035361
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859045
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 48586355
1-(7-methoxyheptyl)-3-methylbenzene
CID 70248389
4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene
CID 166514951
2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide
CID 110673807
2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol
CID 157148610

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene (CID 90949774) is 1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene is COc1ccc(CCCc2cccc(C)c2)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene?
The InChIKey is GMRYYBVYWCXAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-14-6-4-7-15(12-14)8-5-9-16-10-11-17(19-2)18(13-16)20-3/h4,6-7,10-13H,5,8-9H2,1-3H3.
What are the key properties of 1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene?
1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene has a molecular weight of 270.37 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene is sourced from PubChem (CID 90949774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).