1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol

C15H19BrO3 — CID 65149646

IUPAC1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol
SMILESOC(CC1CCCC1)c1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C15H19BrO3/c16-12-8-11(9-14-15(12)19-6-5-18-14)13(17)7-10-3-1-2-4-10/h8-10,13,17H,1-7H2
InChIKeyNJAQRTMFBURJIN-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.83
Rot. Bonds3

About 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol

1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol (PubChem CID 65149646) has the molecular formula C15H19BrO3 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol
PubChem CID65149646
Molecular FormulaC15H19BrO3
Molecular Weight327.22 g/mol
Exact Mass326.05
IUPAC Name1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol
SMILESOC(CC1CCCC1)c1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C15H19BrO3/c16-12-8-11(9-14-15(12)19-6-5-18-14)13(17)7-10-3-1-2-4-10/h8-10,13,17H,1-7H2
InChIKeyNJAQRTMFBURJIN-UHFFFAOYSA-N
XLogP3.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol (CID 65149646) is 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol is OC(CC1CCCC1)c1cc(Br)c2c(c1)OCCO2.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol?
The InChIKey is NJAQRTMFBURJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO3/c16-12-8-11(9-14-15(12)19-6-5-18-14)13(17)7-10-3-1-2-4-10/h8-10,13,17H,1-7H2.
What are the key properties of 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol?
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol has a molecular weight of 327.22 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol is sourced from PubChem (CID 65149646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).