1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol

C15H22O4 — CID 103028378

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cccc2c1OCCO2
InChIInChI=1S/C15H22O4/c1-15(2,17-3)8-7-12(16)11-5-4-6-13-14(11)19-10-9-18-13/h4-6,12,16H,7-10H2,1-3H3
InChIKeyINLBGDDNOJFZQL-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.70
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103028378) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103028378
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cccc2c1OCCO2
InChIInChI=1S/C15H22O4/c1-15(2,17-3)8-7-12(16)11-5-4-6-13-14(11)19-10-9-18-13/h4-6,12,16H,7-10H2,1-3H3
InChIKeyINLBGDDNOJFZQL-UHFFFAOYSA-N
XLogP2.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-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-(2,3-dihydro-1,4-benzodioxin-5-yl)-4,4,4-trifluorobutan-1-ol
CID 105104728
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methoxy-4-methylpentan-1-ol
CID 103035117
methyl (3R)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-hydroxypropanoate
CID 97168065
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol
CID 105111843
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol
CID 103035139
1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028149
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-methylphenyl)ethanol
CID 63016038
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 105130946
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 105087755
1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
CID 106695946
1-(3-ethoxyphenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035096

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol (CID 103028378) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol is COC(C)(C)CCC(O)c1cccc2c1OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is INLBGDDNOJFZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-15(2,17-3)8-7-12(16)11-5-4-6-13-14(11)19-10-9-18-13/h4-6,12,16H,7-10H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103028378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).