3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol

C14H22O4 — CID 79837719

IUPAC3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol
SMILESCOc1ccc(C(C)(C)CCO)c(OC)c1OC
InChIInChI=1S/C14H22O4/c1-14(2,8-9-15)10-6-7-11(16-3)13(18-5)12(10)17-4/h6-7,15H,8-9H2,1-5H3
InChIKeySXJMQBCDEODNPP-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.37
Rot. Bonds6

About 3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol

3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol (PubChem CID 79837719) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol
PubChem CID79837719
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol
SMILESCOc1ccc(C(C)(C)CCO)c(OC)c1OC
InChIInChI=1S/C14H22O4/c1-14(2,8-9-15)10-6-7-11(16-3)13(18-5)12(10)17-4/h6-7,15H,8-9H2,1-5H3
InChIKeySXJMQBCDEODNPP-UHFFFAOYSA-N
XLogP2.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
CID 79837338
1-(4-bromo-2-methylbutan-2-yl)-2,3,4-trimethoxybenzene
CID 79837541
3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
CID 103708140
2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117389312
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
1,1,1-trifluoro-3-methyl-3-(2,3,4-trimethoxyphenyl)butan-2-amine
CID 132588707
2,2-dimethoxy-2-(2,3,4-trimethoxyphenyl)acetonitrile
CID 70447314
3-(4-bromonaphthalen-1-yl)-3-methylbutan-1-ol
CID 79838004
3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol
CID 79838193
2-(2,3-dimethoxyanilino)ethanol
CID 174734615
1,2,3-trimethoxy-4-(2-methyl-4-phenylbut-3-yn-2-yl)benzene
CID 46856212
[2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol
CID 126606770

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol?
The IUPAC name of 3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol (CID 79837719) is 3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol.
What is the SMILES notation for 3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol?
The canonical SMILES for 3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol is COc1ccc(C(C)(C)CCO)c(OC)c1OC.
What is the InChIKey of 3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol?
The InChIKey is SXJMQBCDEODNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-14(2,8-9-15)10-6-7-11(16-3)13(18-5)12(10)17-4/h6-7,15H,8-9H2,1-5H3.
What are the key properties of 3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol?
3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,3,4-trimethoxyphenyl)butan-1-ol is sourced from PubChem (CID 79837719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).