2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol

C13H18O4 — CID 117349268

IUPAC2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol
SMILESCOc1cc2c(c(C(C)(C)CO)c1)OCCO2
InChIInChI=1S/C13H18O4/c1-13(2,8-14)10-6-9(15-3)7-11-12(10)17-5-4-16-11/h6-7,14H,4-5,8H2,1-3H3
InChIKeyAECLIAKSHUHCJF-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.74
Rot. Bonds3

About 2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol

2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol (PubChem CID 117349268) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol
PubChem CID117349268
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol
SMILESCOc1cc2c(c(C(C)(C)CO)c1)OCCO2
InChIInChI=1S/C13H18O4/c1-13(2,8-14)10-6-9(15-3)7-11-12(10)17-5-4-16-11/h6-7,14H,4-5,8H2,1-3H3
InChIKeyAECLIAKSHUHCJF-UHFFFAOYSA-N
XLogP1.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117485122
2-(6-methoxy-1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 117321978
2-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117490435
2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol
CID 117300457
7-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117357486
2-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117458635
3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117319788
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methylpropan-1-ol
CID 117395289
2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methylpropan-1-ol
CID 117353309
3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropanoic acid
CID 117383596
[1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine
CID 117342455
2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117318443

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol (CID 117349268) is 2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol is COc1cc2c(c(C(C)(C)CO)c1)OCCO2.
What is the InChIKey of 2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol?
The InChIKey is AECLIAKSHUHCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-13(2,8-14)10-6-9(15-3)7-11-12(10)17-5-4-16-11/h6-7,14H,4-5,8H2,1-3H3.
What are the key properties of 2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol?
2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol has a molecular weight of 238.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 117349268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).