3,4,5-trimethoxy-2-(2-methylpropyl)phenol

C13H20O4 — CID 11160802

IUPAC3,4,5-trimethoxy-2-(2-methylpropyl)phenol
SMILESCOc1cc(O)c(CC(C)C)c(OC)c1OC
InChIInChI=1S/C13H20O4/c1-8(2)6-9-10(14)7-11(15-3)13(17-5)12(9)16-4/h7-8,14H,6H2,1-5H3
InChIKeyROVXFNGQIBRIQW-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.62
Rot. Bonds5

About 3,4,5-trimethoxy-2-(2-methylpropyl)phenol

3,4,5-trimethoxy-2-(2-methylpropyl)phenol (PubChem CID 11160802) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3,4,5-trimethoxy-2-(2-methylpropyl)phenol.

Molecular Properties

Compound Name3,4,5-trimethoxy-2-(2-methylpropyl)phenol
PubChem CID11160802
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name3,4,5-trimethoxy-2-(2-methylpropyl)phenol
SMILESCOc1cc(O)c(CC(C)C)c(OC)c1OC
InChIInChI=1S/C13H20O4/c1-8(2)6-9-10(14)7-11(15-3)13(17-5)12(9)16-4/h7-8,14H,6H2,1-5H3
InChIKeyROVXFNGQIBRIQW-UHFFFAOYSA-N
XLogP2.62
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol
CID 117369237
3,4-dimethoxy-6-methyl-2-(2-methylpropoxy)phenol
CID 86195094
5-[(2S)-butan-2-yl]-2,3-dimethoxyphenol
CID 163966789
1-bromo-2,3-dimethoxy-5-(2-methylpropyl)benzene
CID 20811639
5-butan-2-yl-2,3-dimethoxyphenol
CID 22974622
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol
CID 117366706
2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol
CID 117468532
1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol
CID 117322324
2-(1-aminoethyl)-3-bromo-4,5-dimethoxyphenol
CID 84714360
2,4-difluoro-3-(2-hydroxypropyl)-5-methoxyphenol
CID 117310551
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-2-(2-methylpropyl)phenol?
The IUPAC name of 3,4,5-trimethoxy-2-(2-methylpropyl)phenol (CID 11160802) is 3,4,5-trimethoxy-2-(2-methylpropyl)phenol.
What is the SMILES notation for 3,4,5-trimethoxy-2-(2-methylpropyl)phenol?
The canonical SMILES for 3,4,5-trimethoxy-2-(2-methylpropyl)phenol is COc1cc(O)c(CC(C)C)c(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-2-(2-methylpropyl)phenol?
The InChIKey is ROVXFNGQIBRIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-8(2)6-9-10(14)7-11(15-3)13(17-5)12(9)16-4/h7-8,14H,6H2,1-5H3.
What are the key properties of 3,4,5-trimethoxy-2-(2-methylpropyl)phenol?
3,4,5-trimethoxy-2-(2-methylpropyl)phenol has a molecular weight of 240.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-2-(2-methylpropyl)phenol is sourced from PubChem (CID 11160802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).