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

C12H16O3 — CID 117297535

IUPAC2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
SMILESCc1cc(C(C)CO)cc2c1OCCO2
InChIInChI=1S/C12H16O3/c1-8-5-10(9(2)7-13)6-11-12(8)15-4-3-14-11/h5-6,9,13H,3-4,7H2,1-2H3
InChIKeyDUVGTOCSBUTMEM-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.86
Rot. Bonds2

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

2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol (PubChem CID 117297535) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol.

Molecular Properties

Compound Name2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
PubChem CID117297535
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
SMILESCc1cc(C(C)CO)cc2c1OCCO2
InChIInChI=1S/C12H16O3/c1-8-5-10(9(2)7-13)6-11-12(8)15-4-3-14-11/h5-6,9,13H,3-4,7H2,1-2H3
InChIKeyDUVGTOCSBUTMEM-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)acetate
CID 117383481
1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117297581
2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117297524
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 117284513
5-methyl-2,3-dihydro-1,4-benzodioxin-7-ol
CID 84652316
2-(7-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117429999
6-chloro-5-(1-hydroxypropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117363752
2-amino-2-(5-bromo-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117464755
(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol
CID 117284628
2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol
CID 117362154
7-fluoro-5-methyl-2,3-dihydro-1,4-benzodioxine
CID 20821264
2-(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117488076

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
The IUPAC name of 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol (CID 117297535) is 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol.
What is the SMILES notation for 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
The canonical SMILES for 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol is Cc1cc(C(C)CO)cc2c1OCCO2.
What is the InChIKey of 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
The InChIKey is DUVGTOCSBUTMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-5-10(9(2)7-13)6-11-12(8)15-4-3-14-11/h5-6,9,13H,3-4,7H2,1-2H3.
What are the key properties of 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol has a molecular weight of 208.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol is sourced from PubChem (CID 117297535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).