2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol

C12H15BrO3 — CID 84715487

IUPAC2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
SMILESCc1c(C(C)(C)O)cc2c(c1Br)OCCO2
InChIInChI=1S/C12H15BrO3/c1-7-8(12(2,3)14)6-9-11(10(7)13)16-5-4-15-9/h6,14H,4-5H2,1-3H3
InChIKeyONZHEHFCODDDNX-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.76
Rot. Bonds1

About 2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol

2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol (PubChem CID 84715487) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
PubChem CID84715487
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
SMILESCc1c(C(C)(C)O)cc2c(c1Br)OCCO2
InChIInChI=1S/C12H15BrO3/c1-7-8(12(2,3)14)6-9-11(10(7)13)16-5-4-15-9/h6,14H,4-5H2,1-3H3
InChIKeyONZHEHFCODDDNX-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117490435
2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 84678952
2-(6-bromo-1,3-benzodioxol-5-yl)propan-2-ol
CID 84709686
1-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117461128
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 84687648
2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propanoic acid
CID 117484672
7-(2-amino-2-methylpropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117486511
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
CID 131177273
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 117302822
(7-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 117400769
N-[(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117437423

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
The IUPAC name of 2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol (CID 84715487) is 2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol.
What is the SMILES notation for 2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
The canonical SMILES for 2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol is Cc1c(C(C)(C)O)cc2c(c1Br)OCCO2.
What is the InChIKey of 2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
The InChIKey is ONZHEHFCODDDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-7-8(12(2,3)14)6-9-11(10(7)13)16-5-4-15-9/h6,14H,4-5H2,1-3H3.
What are the key properties of 2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol?
2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol has a molecular weight of 287.15 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol is sourced from PubChem (CID 84715487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).