2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol

C13H18O3 — CID 117318443

IUPAC2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
SMILESCc1ccc2c(c1C(C)(C)CO)OCCO2
InChIInChI=1S/C13H18O3/c1-9-4-5-10-12(16-7-6-15-10)11(9)13(2,3)8-14/h4-5,14H,6-8H2,1-3H3
InChIKeyYLTGFHWIEFNMJB-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.04
Rot. Bonds2

About 2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol

2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol (PubChem CID 117318443) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
PubChem CID117318443
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
SMILESCc1ccc2c(c1C(C)(C)CO)OCCO2
InChIInChI=1S/C13H18O3/c1-9-4-5-10-12(16-7-6-15-10)11(9)13(2,3)8-14/h4-5,14H,6-8H2,1-3H3
InChIKeyYLTGFHWIEFNMJB-UHFFFAOYSA-N
XLogP2.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117357486
2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117297524
2-(4-chloro-1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 117329555
2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117485122
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
5-(2-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298719
2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol
CID 117349268
1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
CID 117294683
6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117287928
6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117400993
4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran
CID 159534872
2-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117490435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol (CID 117318443) is 2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol is Cc1ccc2c(c1C(C)(C)CO)OCCO2.
What is the InChIKey of 2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol?
The InChIKey is YLTGFHWIEFNMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9-4-5-10-12(16-7-6-15-10)11(9)13(2,3)8-14/h4-5,14H,6-8H2,1-3H3.
What are the key properties of 2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol?
2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol has a molecular weight of 222.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol is sourced from PubChem (CID 117318443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).