[3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol

C20H26O6 — CID 23044013

IUPAC[3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol
SMILESCOc1cc(CCc2c(CO)ccc(OC)c2OC)cc(OC)c1OC
InChIInChI=1S/C20H26O6/c1-22-16-9-7-14(12-21)15(19(16)25-4)8-6-13-10-17(23-2)20(26-5)18(11-13)24-3/h7,9-11,21H,6,8,12H2,1-5H3
InChIKeyLTGZFHLYHWRRBI-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.01
Rot. Bonds9

About [3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol

[3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol (PubChem CID 23044013) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is [3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol.

Molecular Properties

Compound Name[3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol
PubChem CID23044013
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name[3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol
SMILESCOc1cc(CCc2c(CO)ccc(OC)c2OC)cc(OC)c1OC
InChIInChI=1S/C20H26O6/c1-22-16-9-7-14(12-21)15(19(16)25-4)8-6-13-10-17(23-2)20(26-5)18(11-13)24-3/h7,9-11,21H,6,8,12H2,1-5H3
InChIKeyLTGZFHLYHWRRBI-UHFFFAOYSA-N
XLogP3.01
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3,4-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]methanol
CID 23043876
2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
CID 118422161
1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene
CID 11373561
4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465805
5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870541
(2-amino-3,4-dimethoxyphenyl)methanol
CID 139735105
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
2-methyl-1-[2-(2,3,4-trimethoxyphenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111377291
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene
CID 172870474
[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] hydrogen sulfate
CID 24820748
2-(3,4,5-trimethoxyphenyl)ethylazanium
CID 6918993

Frequently Asked Questions

What is the IUPAC name of [3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol?
The IUPAC name of [3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol (CID 23044013) is [3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol.
What is the SMILES notation for [3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol?
The canonical SMILES for [3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol is COc1cc(CCc2c(CO)ccc(OC)c2OC)cc(OC)c1OC.
What is the InChIKey of [3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol?
The InChIKey is LTGZFHLYHWRRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c1-22-16-9-7-14(12-21)15(19(16)25-4)8-6-13-10-17(23-2)20(26-5)18(11-13)24-3/h7,9-11,21H,6,8,12H2,1-5H3.
What are the key properties of [3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol?
[3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol has a molecular weight of 362.42 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol is sourced from PubChem (CID 23044013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).