1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene

C28H34O7 — CID 22900363

IUPAC1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene
SMILESCOc1cc(OC)c(Cc2cc(C)cc(Cc3c(OC)cc(OC)cc3OC)c2OC)c(OC)c1
InChIInChI=1S/C28H34O7/c1-17-9-18(11-22-24(31-4)13-20(29-2)14-25(22)32-5)28(35-8)19(10-17)12-23-26(33-6)15-21(30-3)16-27(23)34-7/h9-10,13-16H,11-12H2,1-8H3
InChIKeyCWUFUPRQDMBGJS-UHFFFAOYSA-N
MW482.57 g/mol
LogP5.24
Rot. Bonds11

About 1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene

1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene (PubChem CID 22900363) has the molecular formula C28H34O7 and a molecular weight of 482.57 g/mol. Its IUPAC name is 1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene.

Molecular Properties

Compound Name1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene
PubChem CID22900363
Molecular FormulaC28H34O7
Molecular Weight482.57 g/mol
Exact Mass482.23
IUPAC Name1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene
SMILESCOc1cc(OC)c(Cc2cc(C)cc(Cc3c(OC)cc(OC)cc3OC)c2OC)c(OC)c1
InChIInChI=1S/C28H34O7/c1-17-9-18(11-22-24(31-4)13-20(29-2)14-25(22)32-5)28(35-8)19(10-17)12-23-26(33-6)15-21(30-3)16-27(23)34-7/h9-10,13-16H,11-12H2,1-8H3
InChIKeyCWUFUPRQDMBGJS-UHFFFAOYSA-N
XLogP5.24
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.57
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-5-(2,4,6-trimethoxyphenyl)pentan-1-amine
CID 65300910
2-(iodomethyl)-1,3,5-trimethoxybenzene
CID 10946751
(2,3-dimethoxy-5-methylphenyl)-[2-(hydroxymethyl)-3,5-dimethoxyphenyl]methanol
CID 10383113
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
CID 116932273
3,5-dimethoxy-2-methylaniline;hydrochloride
CID 91663006
1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117346889
2-[(3,5-dibromo-2-methylphenyl)methyl]-3,5-dimethoxyphenol
CID 142860318
3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol
CID 170887561
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
2-(5-bromopentyl)-1,3,5-trimethoxybenzene
CID 56956628
5,7-dimethoxy-3-methylnaphthalen-1-ol
CID 15404113

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene?
The IUPAC name of 1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene (CID 22900363) is 1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene.
What is the SMILES notation for 1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene?
The canonical SMILES for 1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene is COc1cc(OC)c(Cc2cc(C)cc(Cc3c(OC)cc(OC)cc3OC)c2OC)c(OC)c1.
What is the InChIKey of 1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene?
The InChIKey is CWUFUPRQDMBGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O7/c1-17-9-18(11-22-24(31-4)13-20(29-2)14-25(22)32-5)28(35-8)19(10-17)12-23-26(33-6)15-21(30-3)16-27(23)34-7/h9-10,13-16H,11-12H2,1-8H3.
What are the key properties of 1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene?
1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene has a molecular weight of 482.57 g/mol, XLogP of 5.24, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethoxy-2-[[2-methoxy-5-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]phenyl]methyl]benzene is sourced from PubChem (CID 22900363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).