(5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol

C13H10BrClO3S — CID 107964192

IUPAC(5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
SMILESOC(c1csc(Br)c1)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C13H10BrClO3S/c14-12-3-7(6-19-12)13(16)8-4-10-11(5-9(8)15)18-2-1-17-10/h3-6,13,16H,1-2H2
InChIKeyOWWLWFISLSBNMX-UHFFFAOYSA-N
MW361.64 g/mol
LogP4.02
Rot. Bonds2

About (5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol

(5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (PubChem CID 107964192) has the molecular formula C13H10BrClO3S and a molecular weight of 361.64 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
PubChem CID107964192
Molecular FormulaC13H10BrClO3S
Molecular Weight361.64 g/mol
Exact Mass359.92
IUPAC Name(5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
SMILESOC(c1csc(Br)c1)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C13H10BrClO3S/c14-12-3-7(6-19-12)13(16)8-4-10-11(5-9(8)15)18-2-1-17-10/h3-6,13,16H,1-2H2
InChIKeyOWWLWFISLSBNMX-UHFFFAOYSA-N
XLogP4.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.64
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(5-bromothiophen-3-yl)-chloromethyl]-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 114021610
8-[bromo-(5-bromothiophen-3-yl)methyl]-7-chloro-3,4-dihydro-2H-1,5-benzodioxepine
CID 107964696
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(furan-3-yl)methanol
CID 61081789
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-4-fluorophenyl)methanol
CID 82876026
(3-bromophenyl)-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol
CID 61080813
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964190
(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 82759401
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol
CID 62276704
(2-bromo-5-methylphenyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 81111283
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 107960685
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-thiophen-2-ylmethanol
CID 61081382
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-chlorophenyl)methanol
CID 61081975

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
The IUPAC name of (5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol (CID 107964192) is (5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
The canonical SMILES for (5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol is OC(c1csc(Br)c1)c1cc2c(cc1Cl)OCCO2.
What is the InChIKey of (5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
The InChIKey is OWWLWFISLSBNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO3S/c14-12-3-7(6-19-12)13(16)8-4-10-11(5-9(8)15)18-2-1-17-10/h3-6,13,16H,1-2H2.
What are the key properties of (5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol?
(5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol has a molecular weight of 361.64 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol is sourced from PubChem (CID 107964192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).