1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene

C30H38O10 — CID 15638734

IUPAC1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene
SMILESCOc1cc(COCc2cc(OC)c(OC)c(OC)c2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C30H38O10/c1-31-22-11-18(12-23(32-2)28(22)37-7)10-21-20(15-26(35-5)30(39-9)27(21)36-6)17-40-16-19-13-24(33-3)29(38-8)25(14-19)34-4/h11-15H,10,16-17H2,1-9H3
InChIKeyNVGOWIWYVJQIOE-UHFFFAOYSA-N
MW558.62 g/mol
LogP5.07
Rot. Bonds15

About 1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene

1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene (PubChem CID 15638734) has the molecular formula C30H38O10 and a molecular weight of 558.62 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene
PubChem CID15638734
Molecular FormulaC30H38O10
Molecular Weight558.62 g/mol
Exact Mass558.25
IUPAC Name1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene
SMILESCOc1cc(COCc2cc(OC)c(OC)c(OC)c2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C30H38O10/c1-31-22-11-18(12-23(32-2)28(22)37-7)10-21-20(15-26(35-5)30(39-9)27(21)36-6)17-40-16-19-13-24(33-3)29(38-8)25(14-19)34-4/h11-15H,10,16-17H2,1-9H3
InChIKeyNVGOWIWYVJQIOE-UHFFFAOYSA-N
XLogP5.07
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.62
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene (CID 15638734) is 1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene is COc1cc(COCc2cc(OC)c(OC)c(OC)c2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene?
The InChIKey is NVGOWIWYVJQIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O10/c1-31-22-11-18(12-23(32-2)28(22)37-7)10-21-20(15-26(35-5)30(39-9)27(21)36-6)17-40-16-19-13-24(33-3)29(38-8)25(14-19)34-4/h11-15H,10,16-17H2,1-9H3.
What are the key properties of 1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene?
1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene has a molecular weight of 558.62 g/mol, XLogP of 5.07, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene is sourced from PubChem (CID 15638734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).