1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol

C12H16O4 — CID 117321804

IUPAC1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol
SMILESCOc1cc2c(cc1CC(C)O)OCOC2
InChIInChI=1S/C12H16O4/c1-8(13)3-9-4-12-10(5-11(9)14-2)6-15-7-16-12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyYPZBEFXLCSKDCY-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.49
Rot. Bonds3

About 1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol

1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol (PubChem CID 117321804) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol.

Molecular Properties

Compound Name1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol
PubChem CID117321804
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol
SMILESCOc1cc2c(cc1CC(C)O)OCOC2
InChIInChI=1S/C12H16O4/c1-8(13)3-9-4-12-10(5-11(9)14-2)6-15-7-16-12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyYPZBEFXLCSKDCY-UHFFFAOYSA-N
XLogP1.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methoxy-4H-1,3-benzodioxin-7-yl)-2-methylpropanoic acid
CID 117383604
2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol
CID 117300099
1-(6-bromo-4H-1,3-benzodioxin-7-yl)propan-2-ol
CID 117434900
O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine
CID 117323140
3-amino-3-(6-methoxy-4H-1,3-benzodioxin-7-yl)propanoic acid
CID 117385437
3-amino-2-(6-methoxy-4H-1,3-benzodioxin-7-yl)propanoic acid
CID 117385454
5-(2-hydroxypropyl)-2,4-dimethoxyphenol
CID 117303005
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
CID 117328887
3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine
CID 117413191
1-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-2-ol
CID 117303123
1-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)propan-2-amine
CID 69408234
1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
CID 117306080

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol?
The IUPAC name of 1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol (CID 117321804) is 1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol.
What is the SMILES notation for 1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol?
The canonical SMILES for 1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol is COc1cc2c(cc1CC(C)O)OCOC2.
What is the InChIKey of 1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol?
The InChIKey is YPZBEFXLCSKDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8(13)3-9-4-12-10(5-11(9)14-2)6-15-7-16-12/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of 1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol?
1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol has a molecular weight of 224.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol is sourced from PubChem (CID 117321804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).