1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene

C20H26O4 — CID 139826457

IUPAC1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
SMILESCCOc1ccc(CCCc2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C20H26O4/c1-5-24-18-12-10-16(20(14-18)23-4)8-6-7-15-9-11-17(21-2)13-19(15)22-3/h9-14H,5-8H2,1-4H3
InChIKeyIWRWRIFQUZYSDL-UHFFFAOYSA-N
MW330.42 g/mol
LogP4.29
Rot. Bonds9

About 1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene

1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene (PubChem CID 139826457) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene.

Molecular Properties

Compound Name1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
PubChem CID139826457
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
SMILESCCOc1ccc(CCCc2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C20H26O4/c1-5-24-18-12-10-16(20(14-18)23-4)8-6-7-15-9-11-17(21-2)13-19(15)22-3/h9-14H,5-8H2,1-4H3
InChIKeyIWRWRIFQUZYSDL-UHFFFAOYSA-N
XLogP4.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene
CID 139826698
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
CID 139826649
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
2-[3-(2,4-diethoxyphenyl)propyl]-5-[(4-methoxyphenyl)methoxy]phenol
CID 139826466
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498
3-(2,4-dimethoxyphenyl)propane-1-sulfonamide
CID 175051954
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
4-ethoxy-2-methoxyphenol
CID 54107015

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene?
The IUPAC name of 1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene (CID 139826457) is 1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene.
What is the SMILES notation for 1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene?
The canonical SMILES for 1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene is CCOc1ccc(CCCc2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of 1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene?
The InChIKey is IWRWRIFQUZYSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-5-24-18-12-10-16(20(14-18)23-4)8-6-7-15-9-11-17(21-2)13-19(15)22-3/h9-14H,5-8H2,1-4H3.
What are the key properties of 1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene?
1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene has a molecular weight of 330.42 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene is sourced from PubChem (CID 139826457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).