1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene

C21H28O4 — CID 4096780

IUPAC1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
SMILESCOc1cc(CCCc2cc(OC)c(C)cc2OC)c(OC)cc1C
InChIInChI=1S/C21H28O4/c1-14-10-20(24-5)16(12-18(14)22-3)8-7-9-17-13-19(23-4)15(2)11-21(17)25-6/h10-13H,7-9H2,1-6H3
InChIKeyTVDIMWMWKNNITD-UHFFFAOYSA-N
MW344.45 g/mol
LogP4.51
Rot. Bonds8

About 1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene

1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene (PubChem CID 4096780) has the molecular formula C21H28O4 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene.

Molecular Properties

Compound Name1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
PubChem CID4096780
Molecular FormulaC21H28O4
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
SMILESCOc1cc(CCCc2cc(OC)c(C)cc2OC)c(OC)cc1C
InChIInChI=1S/C21H28O4/c1-14-10-20(24-5)16(12-18(14)22-3)8-7-9-17-13-19(23-4)15(2)11-21(17)25-6/h10-13H,7-9H2,1-6H3
InChIKeyTVDIMWMWKNNITD-UHFFFAOYSA-N
XLogP4.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloropropyl)-2,5-dimethoxy-4-methylbenzene
CID 116926660
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839
[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol
CID 115229328
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine
CID 115206014
2-[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]ethanethiol
CID 115224241
1-(2-chloroethyl)-2-methoxy-4,5-dimethylbenzene
CID 82469330
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one
CID 98014751
methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate
CID 82350341

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene?
The IUPAC name of 1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene (CID 4096780) is 1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene.
What is the SMILES notation for 1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene?
The canonical SMILES for 1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene is COc1cc(CCCc2cc(OC)c(C)cc2OC)c(OC)cc1C.
What is the InChIKey of 1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene?
The InChIKey is TVDIMWMWKNNITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O4/c1-14-10-20(24-5)16(12-18(14)22-3)8-7-9-17-13-19(23-4)15(2)11-21(17)25-6/h10-13H,7-9H2,1-6H3.
What are the key properties of 1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene?
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene has a molecular weight of 344.45 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene is sourced from PubChem (CID 4096780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).