1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol

C14H22O4 — CID 103027520

IUPAC1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
SMILESCOc1ccc(OC)c(C(O)CC(C)(C)OC)c1
InChIInChI=1S/C14H22O4/c1-14(2,18-5)9-12(15)11-8-10(16-3)6-7-13(11)17-4/h6-8,12,15H,9H2,1-5H3
InChIKeyXCZPLKPEGGTNOI-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.55
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol

1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol (PubChem CID 103027520) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
PubChem CID103027520
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
SMILESCOc1ccc(OC)c(C(O)CC(C)(C)OC)c1
InChIInChI=1S/C14H22O4/c1-14(2,18-5)9-12(15)11-8-10(16-3)6-7-13(11)17-4/h6-8,12,15H,9H2,1-5H3
InChIKeyXCZPLKPEGGTNOI-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-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

1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027670
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 61101083
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
CID 60903994
3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 103993463
3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol
CID 103027413
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 6493924
(1S,2R)-1-amino-1-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171162385
3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol
CID 112629921
1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol
CID 106448693

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol (CID 103027520) is 1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol is COc1ccc(OC)c(C(O)CC(C)(C)OC)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol?
The InChIKey is XCZPLKPEGGTNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-14(2,18-5)9-12(15)11-8-10(16-3)6-7-13(11)17-4/h6-8,12,15H,9H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol?
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 103027520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).