2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol

C16H14BrClO3 — CID 105126709

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
SMILESOC(Cc1ccc(Br)cc1Cl)c1cccc2c1OCCO2
InChIInChI=1S/C16H14BrClO3/c17-11-5-4-10(13(18)9-11)8-14(19)12-2-1-3-15-16(12)21-7-6-20-15/h1-5,9,14,19H,6-8H2
InChIKeySDEPWTFYHCJRRC-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.15
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol

2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol (PubChem CID 105126709) has the molecular formula C16H14BrClO3 and a molecular weight of 369.64 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
PubChem CID105126709
Molecular FormulaC16H14BrClO3
Molecular Weight369.64 g/mol
Exact Mass367.98
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
SMILESOC(Cc1ccc(Br)cc1Cl)c1cccc2c1OCCO2
InChIInChI=1S/C16H14BrClO3/c17-11-5-4-10(13(18)9-11)8-14(19)12-2-1-3-15-16(12)21-7-6-20-15/h1-5,9,14,19H,6-8H2
InChIKeySDEPWTFYHCJRRC-UHFFFAOYSA-N
XLogP4.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 105115570
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115833929
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol
CID 107985833
2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine
CID 105133211
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-methylphenyl)ethanol
CID 63016038
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 105087755
1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)ethanol
CID 105126626
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-chlorophenyl)ethanol
CID 63900335
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 103443505
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 115833919
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol
CID 105111843
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4,4,4-trifluorobutan-1-ol
CID 105104728

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol (CID 105126709) is 2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol is OC(Cc1ccc(Br)cc1Cl)c1cccc2c1OCCO2.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol?
The InChIKey is SDEPWTFYHCJRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO3/c17-11-5-4-10(13(18)9-11)8-14(19)12-2-1-3-15-16(12)21-7-6-20-15/h1-5,9,14,19H,6-8H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol?
2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol has a molecular weight of 369.64 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol is sourced from PubChem (CID 105126709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).