1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene

C20H26O2 — CID 45267390

IUPAC1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene
SMILESCCCc1ccc(OC)c(-c2ccc(OC)c(CCC)c2)c1
InChIInChI=1S/C20H26O2/c1-5-7-15-9-11-20(22-4)18(13-15)16-10-12-19(21-3)17(14-16)8-6-2/h9-14H,5-8H2,1-4H3
InChIKeyGLDMMYBVNSMLGE-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.28
Rot. Bonds7

About 1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene

1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene (PubChem CID 45267390) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene.

Molecular Properties

Compound Name1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene
PubChem CID45267390
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene
SMILESCCCc1ccc(OC)c(-c2ccc(OC)c(CCC)c2)c1
InChIInChI=1S/C20H26O2/c1-5-7-15-9-11-20(22-4)18(13-15)16-10-12-19(21-3)17(14-16)8-6-2/h9-14H,5-8H2,1-4H3
InChIKeyGLDMMYBVNSMLGE-UHFFFAOYSA-N
XLogP5.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxy-3-propylphenyl)propan-1-amine
CID 123256997
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
4-methoxy-3-(2-methoxy-5-propylphenyl)benzaldehyde
CID 15714587
2-[3-(3,4-dimethylphenyl)-4-methoxyphenyl]ethanamine
CID 82107025
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
4-(2-methoxy-5-propylphenyl)-1,3-thiazole
CID 3562568
1-(2-methoxy-5-propylphenyl)butan-2-amine
CID 170890563
2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene
CID 173310858
2,3-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]-4-methoxybenzene
CID 121369846
4-(2-methoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 11857938
3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine
CID 143596387
1-iodo-2-methoxy-4-propylbenzene
CID 118402577

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene?
The IUPAC name of 1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene (CID 45267390) is 1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene.
What is the SMILES notation for 1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene?
The canonical SMILES for 1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene is CCCc1ccc(OC)c(-c2ccc(OC)c(CCC)c2)c1.
What is the InChIKey of 1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene?
The InChIKey is GLDMMYBVNSMLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-5-7-15-9-11-20(22-4)18(13-15)16-10-12-19(21-3)17(14-16)8-6-2/h9-14H,5-8H2,1-4H3.
What are the key properties of 1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene?
1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene has a molecular weight of 298.43 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene is sourced from PubChem (CID 45267390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).