5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene

C24H34O8 — CID 15310594

IUPAC5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(C(CCC(OC)c2cc(OC)c(OC)c(OC)c2)OC)cc(OC)c1OC
InChIInChI=1S/C24H34O8/c1-25-17(15-11-19(27-3)23(31-7)20(12-15)28-4)9-10-18(26-2)16-13-21(29-5)24(32-8)22(14-16)30-6/h11-14,17-18H,9-10H2,1-8H3
InChIKeyCWSGAOJKISAGAH-UHFFFAOYSA-N
MW450.53 g/mol
LogP4.59
Rot. Bonds13

About 5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene

5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene (PubChem CID 15310594) has the molecular formula C24H34O8 and a molecular weight of 450.53 g/mol. Its IUPAC name is 5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene
PubChem CID15310594
Molecular FormulaC24H34O8
Molecular Weight450.53 g/mol
Exact Mass450.23
IUPAC Name5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(C(CCC(OC)c2cc(OC)c(OC)c(OC)c2)OC)cc(OC)c1OC
InChIInChI=1S/C24H34O8/c1-25-17(15-11-19(27-3)23(31-7)20(12-15)28-4)9-10-18(26-2)16-13-21(29-5)24(32-8)22(14-16)30-6/h11-14,17-18H,9-10H2,1-8H3
InChIKeyCWSGAOJKISAGAH-UHFFFAOYSA-N
XLogP4.59
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-amino-1-(3,4,5-trimethoxyphenyl)ethoxy]butan-2-ol
CID 103377036
(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 171219160
(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 28820340
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116954412
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol
CID 79566976
2-sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanol
CID 116830062
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 116948624
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
1-(3,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933323

Frequently Asked Questions

What is the IUPAC name of 5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene (CID 15310594) is 5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene is COc1cc(C(CCC(OC)c2cc(OC)c(OC)c(OC)c2)OC)cc(OC)c1OC.
What is the InChIKey of 5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene?
The InChIKey is CWSGAOJKISAGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O8/c1-25-17(15-11-19(27-3)23(31-7)20(12-15)28-4)9-10-18(26-2)16-13-21(29-5)24(32-8)22(14-16)30-6/h11-14,17-18H,9-10H2,1-8H3.
What are the key properties of 5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene?
5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene has a molecular weight of 450.53 g/mol, XLogP of 4.59, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 15310594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).