1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol

C12H16O3 — CID 117297581

IUPAC1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
SMILESCc1cc(CC(C)O)cc2c1OCCO2
InChIInChI=1S/C12H16O3/c1-8-5-10(6-9(2)13)7-11-12(8)15-4-3-14-11/h5,7,9,13H,3-4,6H2,1-2H3
InChIKeyPHNCHQONPVXKAJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.69
Rot. Bonds2

About 1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol

1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol (PubChem CID 117297581) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
PubChem CID117297581
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
SMILESCc1cc(CC(C)O)cc2c1OCCO2
InChIInChI=1S/C12H16O3/c1-8-5-10(6-9(2)13)7-11-12(8)15-4-3-14-11/h5,7,9,13H,3-4,6H2,1-2H3
InChIKeyPHNCHQONPVXKAJ-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 117284494
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 117284513
(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol
CID 117284628
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117297535
5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 84652316
2-methyl-N-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propan-1-amine
CID 58080517
(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
1-(7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 117470076
5-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278410
7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine
CID 20821264
ethyl 2-hydroxy-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)acetate
CID 117383481
1-(6-bromo-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-2-ol
CID 117490418

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
The IUPAC name of 1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol (CID 117297581) is 1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol.
What is the SMILES notation for 1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
The canonical SMILES for 1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol is Cc1cc(CC(C)O)cc2c1OCCO2.
What is the InChIKey of 1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
The InChIKey is PHNCHQONPVXKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-5-10(6-9(2)13)7-11-12(8)15-4-3-14-11/h5,7,9,13H,3-4,6H2,1-2H3.
What are the key properties of 1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol has a molecular weight of 208.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol is sourced from PubChem (CID 117297581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).