2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol

C24H34O8 — CID 10939314

IUPAC2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
SMILESCOc1cc(CC(C)(O)C(C)(O)Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C24H34O8/c1-23(25,13-15-9-17(27-3)21(31-7)18(10-15)28-4)24(2,26)14-16-11-19(29-5)22(32-8)20(12-16)30-6/h9-12,25-26H,13-14H2,1-8H3
InChIKeyHZRNHCRIWWGHKJ-UHFFFAOYSA-N
MW450.53 g/mol
LogP3.03
Rot. Bonds11

About 2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol

2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol (PubChem CID 10939314) has the molecular formula C24H34O8 and a molecular weight of 450.53 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol.

Molecular Properties

Compound Name2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
PubChem CID10939314
Molecular FormulaC24H34O8
Molecular Weight450.53 g/mol
Exact Mass450.23
IUPAC Name2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
SMILESCOc1cc(CC(C)(O)C(C)(O)Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C24H34O8/c1-23(25,13-15-9-17(27-3)21(31-7)18(10-15)28-4)24(2,26)14-16-11-19(29-5)22(32-8)20(12-16)30-6/h9-12,25-26H,13-14H2,1-8H3
InChIKeyHZRNHCRIWWGHKJ-UHFFFAOYSA-N
XLogP3.03
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
CID 82111127
dimethyl 2,2-bis[(3,4,5-trimethoxyphenyl)methyl]propanedioate
CID 19020979
(3,4,5-trimethoxyphenyl)methoxymethanol
CID 167081635
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
1-bromo-1-(3,4,5-trimethoxyphenyl)ethanol
CID 175796351
2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol
CID 62816210
2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol
CID 23270185
2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol
CID 117353559
1-amino-2-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 71778100
1-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-2-amine
CID 117355493
2-(5-ethyl-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117349589
1-bromo-3-(3,4-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-ol
CID 107140181

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol?
The IUPAC name of 2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol (CID 10939314) is 2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol.
What is the SMILES notation for 2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol?
The canonical SMILES for 2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol is COc1cc(CC(C)(O)C(C)(O)Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of 2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol?
The InChIKey is HZRNHCRIWWGHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O8/c1-23(25,13-15-9-17(27-3)21(31-7)18(10-15)28-4)24(2,26)14-16-11-19(29-5)22(32-8)20(12-16)30-6/h9-12,25-26H,13-14H2,1-8H3.
What are the key properties of 2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol?
2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol has a molecular weight of 450.53 g/mol, XLogP of 3.03, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol is sourced from PubChem (CID 10939314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).