3-(2,3,4-trimethoxyphenyl)propan-1-ol

C12H18O4 — CID 11790895

IUPAC3-(2,3,4-trimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCCO)c(OC)c1OC
InChIInChI=1S/C12H18O4/c1-14-10-7-6-9(5-4-8-13)11(15-2)12(10)16-3/h6-7,13H,4-5,8H2,1-3H3
InChIKeyNVJIPXOAKYNFFE-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.64
Rot. Bonds6

About 3-(2,3,4-trimethoxyphenyl)propan-1-ol

3-(2,3,4-trimethoxyphenyl)propan-1-ol (PubChem CID 11790895) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-(2,3,4-trimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3,4-trimethoxyphenyl)propan-1-ol
PubChem CID11790895
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name3-(2,3,4-trimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCCO)c(OC)c1OC
InChIInChI=1S/C12H18O4/c1-14-10-7-6-9(5-4-8-13)11(15-2)12(10)16-3/h6-7,13H,4-5,8H2,1-3H3
InChIKeyNVJIPXOAKYNFFE-UHFFFAOYSA-N
XLogP1.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3,4-trimethoxyphenyl)propan-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

trimethoxy-[3-(2,3,4-trimethoxyphenyl)propyl]silane
CID 174513383
1-hept-3-ynyl-2,3,4-trimethoxybenzene
CID 83934109
ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate
CID 144536169
3-(2,3,4-trimethoxyphenyl)propyl 2-methylprop-2-enoate
CID 175430162
6-(3-hydroxypropyl)-2-methoxy-3-methylphenol
CID 117286250
1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
CID 83934072
3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294953
3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
CID 79254161
2-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propan-2-amine
CID 64865802
3-fluoro-6-(3-hydroxypropyl)-2-methoxyphenol
CID 117289242
2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine
CID 65305545
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-trimethoxyphenyl)propan-1-ol?
The IUPAC name of 3-(2,3,4-trimethoxyphenyl)propan-1-ol (CID 11790895) is 3-(2,3,4-trimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,3,4-trimethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(2,3,4-trimethoxyphenyl)propan-1-ol is COc1ccc(CCCO)c(OC)c1OC.
What is the InChIKey of 3-(2,3,4-trimethoxyphenyl)propan-1-ol?
The InChIKey is NVJIPXOAKYNFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-14-10-7-6-9(5-4-8-13)11(15-2)12(10)16-3/h6-7,13H,4-5,8H2,1-3H3.
What are the key properties of 3-(2,3,4-trimethoxyphenyl)propan-1-ol?
3-(2,3,4-trimethoxyphenyl)propan-1-ol has a molecular weight of 226.27 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-trimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 11790895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).