2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene

C19H24O3 — CID 101142620

IUPAC2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene
SMILESCOc1ccc(C(C)COc2c(C)cccc2C)cc1OC
InChIInChI=1S/C19H24O3/c1-13-7-6-8-14(2)19(13)22-12-15(3)16-9-10-17(20-4)18(11-16)21-5/h6-11,15H,12H2,1-5H3
InChIKeyAXWDXHNODMHNIR-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.50
Rot. Bonds6

About 2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene

2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene (PubChem CID 101142620) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene
PubChem CID101142620
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene
SMILESCOc1ccc(C(C)COc2c(C)cccc2C)cc1OC
InChIInChI=1S/C19H24O3/c1-13-7-6-8-14(2)19(13)22-12-15(3)16-9-10-17(20-4)18(11-16)21-5/h6-11,15H,12H2,1-5H3
InChIKeyAXWDXHNODMHNIR-UHFFFAOYSA-N
XLogP4.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene (CID 101142620) is 2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene is COc1ccc(C(C)COc2c(C)cccc2C)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene?
The InChIKey is AXWDXHNODMHNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-13-7-6-8-14(2)19(13)22-12-15(3)16-9-10-17(20-4)18(11-16)21-5/h6-11,15H,12H2,1-5H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene?
2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene has a molecular weight of 300.40 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)propoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 101142620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).