2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol

C13H20O5 — CID 165348100

IUPAC2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
SMILESCOc1cc(OC)c(OC)c(C(C)(C)O)c1OC
InChIInChI=1S/C13H20O5/c1-13(2,14)10-11(17-5)8(15-3)7-9(16-4)12(10)18-6/h7,14H,1-6H3
InChIKeySQJVWBCDSXANJZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.95
Rot. Bonds5

About 2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol

2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol (PubChem CID 165348100) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
PubChem CID165348100
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
SMILESCOc1cc(OC)c(OC)c(C(C)(C)O)c1OC
InChIInChI=1S/C13H20O5/c1-13(2,14)10-11(17-5)8(15-3)7-9(16-4)12(10)18-6/h7,14H,1-6H3
InChIKeySQJVWBCDSXANJZ-UHFFFAOYSA-N
XLogP1.95
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol
CID 117473013
2-(2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117300531
3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol
CID 117470204
2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117300512
1-bromo-1-(3,4,5-trimethoxyphenyl)ethanol
CID 175796351
2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol
CID 23270185
2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
CID 10939314
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 84706691
2-[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]propan-2-ol
CID 117404583
2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol
CID 117353559
5-(2-hydroxypropan-2-yl)-2,3-dimethoxybenzoic acid
CID 117352931
2-[2,6-dimethoxy-3-(methoxymethyl)phenyl]propan-2-ol
CID 117353557

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol?
The IUPAC name of 2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol (CID 165348100) is 2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol is COc1cc(OC)c(OC)c(C(C)(C)O)c1OC.
What is the InChIKey of 2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol?
The InChIKey is SQJVWBCDSXANJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5/c1-13(2,14)10-11(17-5)8(15-3)7-9(16-4)12(10)18-6/h7,14H,1-6H3.
What are the key properties of 2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol?
2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol has a molecular weight of 256.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol is sourced from PubChem (CID 165348100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).