[6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol

C21H28O8 — CID 10597573

IUPAC[6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C(OC)OC)cc(OC)c(OC)c2OC)cc1OC
InChIInChI=1S/C21H28O8/c1-23-14-9-8-12(10-15(14)24-2)18(22)17-13(21(28-6)29-7)11-16(25-3)19(26-4)20(17)27-5/h8-11,18,21-22H,1-7H3
InChIKeyLCCGLZPPKSBKFS-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.10
Rot. Bonds10

About [6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol

[6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol (PubChem CID 10597573) has the molecular formula C21H28O8 and a molecular weight of 408.45 g/mol. Its IUPAC name is [6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name[6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol
PubChem CID10597573
Molecular FormulaC21H28O8
Molecular Weight408.45 g/mol
Exact Mass408.18
IUPAC Name[6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C(OC)OC)cc(OC)c(OC)c2OC)cc1OC
InChIInChI=1S/C21H28O8/c1-23-14-9-8-12(10-15(14)24-2)18(22)17-13(21(28-6)29-7)11-16(25-3)19(26-4)20(17)27-5/h8-11,18,21-22H,1-7H3
InChIKeyLCCGLZPPKSBKFS-UHFFFAOYSA-N
XLogP3.10
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2,3,4-trimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol
CID 10570762
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61100714
(2-methoxy-3,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 103435788
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(1R,2S)-1-amino-1-(3,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160772
(3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 91678392
(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 81111618
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
1-(3,4-dimethoxyphenyl)-1-hydroxy-3-(2-hydroxyphenyl)propan-2-one
CID 141195556
(3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol
CID 91678450

Frequently Asked Questions

What is the IUPAC name of [6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol?
The IUPAC name of [6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol (CID 10597573) is [6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol.
What is the SMILES notation for [6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol?
The canonical SMILES for [6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol is COc1ccc(C(O)c2c(C(OC)OC)cc(OC)c(OC)c2OC)cc1OC.
What is the InChIKey of [6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol?
The InChIKey is LCCGLZPPKSBKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O8/c1-23-14-9-8-12(10-15(14)24-2)18(22)17-13(21(28-6)29-7)11-16(25-3)19(26-4)20(17)27-5/h8-11,18,21-22H,1-7H3.
What are the key properties of [6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol?
[6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol has a molecular weight of 408.45 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethoxymethyl)-2,3,4-trimethoxyphenyl]-(3,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 10597573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).