(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol

C13H10Br2O3S — CID 80535432

IUPAC(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H10Br2O3S/c14-8-6-11(19-13(8)15)12(16)7-1-2-9-10(5-7)18-4-3-17-9/h1-2,5-6,12,16H,3-4H2
InChIKeyXIVOOWXTZHHAFB-UHFFFAOYSA-N
MW406.10 g/mol
LogP4.13
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol

(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (PubChem CID 80535432) has the molecular formula C13H10Br2O3S and a molecular weight of 406.10 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
PubChem CID80535432
Molecular FormulaC13H10Br2O3S
Molecular Weight406.10 g/mol
Exact Mass403.87
IUPAC Name(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H10Br2O3S/c14-8-6-11(19-13(8)15)12(16)7-1-2-9-10(5-7)18-4-3-17-9/h1-2,5-6,12,16H,3-4H2
InChIKeyXIVOOWXTZHHAFB-UHFFFAOYSA-N
XLogP4.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.10
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61088813
7-[bromo-(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 80538784
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
[(4,5-dibromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine
CID 105302953
6-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
CID 80537711
(3-bromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 55238404
2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61089380
(3-bromo-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 81475614
4,5-dibromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-carboxamide
CID 55360616
(4,5-dibromothiophen-2-yl)-(3,4-diethylphenyl)methanol
CID 115482630
7-[chloro-(4,5-dibromothiophen-2-yl)methyl]-3-methyl-3,4-dihydro-2H-1,5-benzodioxepine
CID 80537406
(4,5-dibromothiophen-2-yl)-(4-ethylphenyl)methanol
CID 80535254

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol (CID 80535432) is (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol is OC(c1ccc2c(c1)OCCO2)c1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
The InChIKey is XIVOOWXTZHHAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2O3S/c14-8-6-11(19-13(8)15)12(16)7-1-2-9-10(5-7)18-4-3-17-9/h1-2,5-6,12,16H,3-4H2.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol?
(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol has a molecular weight of 406.10 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol is sourced from PubChem (CID 80535432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).