2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol

C17H28O4 — CID 115823357

IUPAC2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol
SMILESCCOc1cc(C(O)C(C)CC)cc(OCC)c1OCC
InChIInChI=1S/C17H28O4/c1-6-12(5)16(18)13-10-14(19-7-2)17(21-9-4)15(11-13)20-8-3/h10-12,16,18H,6-9H2,1-5H3
InChIKeyJQRJANQAYLPPQP-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.96
Rot. Bonds9

About 2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol

2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol (PubChem CID 115823357) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol
PubChem CID115823357
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol
SMILESCCOc1cc(C(O)C(C)CC)cc(OCC)c1OCC
InChIInChI=1S/C17H28O4/c1-6-12(5)16(18)13-10-14(19-7-2)17(21-9-4)15(11-13)20-8-3/h10-12,16,18H,6-9H2,1-5H3
InChIKeyJQRJANQAYLPPQP-UHFFFAOYSA-N
XLogP3.96
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(3,4,5-triethoxyphenyl)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

N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine
CID 115780806
N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine
CID 105005592
3,4,5-triethoxyphenol
CID 19754898
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
CID 83950833
1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol
CID 134831013
(1S)-1-(4-ethoxy-3,5-dimethylphenyl)ethanol
CID 97294345
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
1-(4-diazenyl-3,5-diethoxyphenyl)ethanol
CID 71072786
(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
CID 97294338
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
1,2,3-triethoxy-5-ethylbenzene
CID 91457664
3,4,5-triethoxybenzenecarbothioamide
CID 82346489

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol?
The IUPAC name of 2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol (CID 115823357) is 2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol?
The canonical SMILES for 2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol is CCOc1cc(C(O)C(C)CC)cc(OCC)c1OCC.
What is the InChIKey of 2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol?
The InChIKey is JQRJANQAYLPPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-6-12(5)16(18)13-10-14(19-7-2)17(21-9-4)15(11-13)20-8-3/h10-12,16,18H,6-9H2,1-5H3.
What are the key properties of 2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol?
2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol has a molecular weight of 296.41 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol is sourced from PubChem (CID 115823357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).