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

C12H15BrO4 — CID 117488073

IUPAC2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
SMILESCOc1c(C(C)CO)cc2c(c1Br)OCCO2
InChIInChI=1S/C12H15BrO4/c1-7(6-14)8-5-9-12(17-4-3-16-9)10(13)11(8)15-2/h5,7,14H,3-4,6H2,1-2H3
InChIKeyPWFBDKFCXSZQHH-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.32
Rot. Bonds3

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

2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol (PubChem CID 117488073) has the molecular formula C12H15BrO4 and a molecular weight of 303.15 g/mol. Its IUPAC name is 2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol.

Molecular Properties

Compound Name2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
PubChem CID117488073
Molecular FormulaC12H15BrO4
Molecular Weight303.15 g/mol
Exact Mass302.02
IUPAC Name2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
SMILESCOc1c(C(C)CO)cc2c(c1Br)OCCO2
InChIInChI=1S/C12H15BrO4/c1-7(6-14)8-5-9-12(17-4-3-16-9)10(13)11(8)15-2/h5,7,14H,3-4,6H2,1-2H3
InChIKeyPWFBDKFCXSZQHH-UHFFFAOYSA-N
XLogP2.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol with MolForge

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Related Compounds

2-(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117488076
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 105424219
3-(7-bromo-6-methoxy-1,3-benzodioxol-5-yl)butan-1-amine
CID 117486415
2-(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117486400
3-(5-bromo-6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butanal
CID 117484829
2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439719
1-(5-bromo-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 84715496
7-(2-aminopropyl)-5-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464914
2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol
CID 117362154
2-amino-2-(7-bromo-6-methoxy-1,3-benzodioxol-5-yl)acetic acid
CID 117488872
2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol
CID 117401030
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117297535

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
The IUPAC name of 2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol (CID 117488073) is 2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol.
What is the SMILES notation for 2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
The canonical SMILES for 2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol is COc1c(C(C)CO)cc2c(c1Br)OCCO2.
What is the InChIKey of 2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
The InChIKey is PWFBDKFCXSZQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO4/c1-7(6-14)8-5-9-12(17-4-3-16-9)10(13)11(8)15-2/h5,7,14H,3-4,6H2,1-2H3.
What are the key properties of 2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol?
2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol has a molecular weight of 303.15 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol is sourced from PubChem (CID 117488073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).