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

C18H22O4 — CID 57481807

IUPAC1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene
SMILESCOc1ccc(CC(C)Oc2ccccc2OC)cc1OC
InChIInChI=1S/C18H22O4/c1-13(22-17-8-6-5-7-15(17)19-2)11-14-9-10-16(20-3)18(12-14)21-4/h5-10,12-13H,11H2,1-4H3
InChIKeyJBFKDJYPERZORK-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.72
Rot. Bonds7

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

1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene (PubChem CID 57481807) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene
PubChem CID57481807
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene
SMILESCOc1ccc(CC(C)Oc2ccccc2OC)cc1OC
InChIInChI=1S/C18H22O4/c1-13(22-17-8-6-5-7-15(17)19-2)11-14-9-10-16(20-3)18(12-14)21-4/h5-10,12-13H,11H2,1-4H3
InChIKeyJBFKDJYPERZORK-UHFFFAOYSA-N
XLogP3.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
1-(3,4-dimethoxyphenyl)propan-2-yl methanesulfonate
CID 21192341
4-(3-chloro-2-methylpropyl)-1,2-dimethoxybenzene
CID 64666940
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111820591
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 10693323
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 39422750
(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol
CID 67673862
[4-(1-aminopropan-2-yloxy)-3-methoxyphenyl]methanol
CID 107742816
[3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine
CID 114284718

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene (CID 57481807) is 1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene is COc1ccc(CC(C)Oc2ccccc2OC)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene?
The InChIKey is JBFKDJYPERZORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-13(22-17-8-6-5-7-15(17)19-2)11-14-9-10-16(20-3)18(12-14)21-4/h5-10,12-13H,11H2,1-4H3.
What are the key properties of 1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene?
1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene has a molecular weight of 302.37 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene is sourced from PubChem (CID 57481807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).