(7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol

C14H15BrO2S — CID 81153940

IUPAC(7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
SMILESCC1OCCC1C(O)c1csc2c(Br)cccc12
InChIInChI=1S/C14H15BrO2S/c1-8-9(5-6-17-8)13(16)11-7-18-14-10(11)3-2-4-12(14)15/h2-4,7-9,13,16H,5-6H2,1H3
InChIKeyFJDFNHVXUHOVIQ-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.12
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol

(7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol (PubChem CID 81153940) has the molecular formula C14H15BrO2S and a molecular weight of 327.24 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
PubChem CID81153940
Molecular FormulaC14H15BrO2S
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
SMILESCC1OCCC1C(O)c1csc2c(Br)cccc12
InChIInChI=1S/C14H15BrO2S/c1-8-9(5-6-17-8)13(16)11-7-18-14-10(11)3-2-4-12(14)15/h2-4,7-9,13,16H,5-6H2,1H3
InChIKeyFJDFNHVXUHOVIQ-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol
CID 81153438
(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115792974
(7-bromo-1-benzothiophen-3-yl)-(5-methyloxolan-3-yl)methanamine
CID 114825350
(2,5-dibromothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
CID 79762717
1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 81141916
(2-fluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115781704
(4-bromo-2,5-difluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 79763696
(2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762979
7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817
(7-bromo-1-benzothiophen-3-yl)-(1-methylcyclohexyl)methanol
CID 106828373
(3-bromo-5-chloro-2-methoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763146
1-(7-bromo-1-benzothiophen-3-yl)-2,2-dimethylbutan-1-ol
CID 81153135

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol (CID 81153940) is (7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol is CC1OCCC1C(O)c1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol?
The InChIKey is FJDFNHVXUHOVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2S/c1-8-9(5-6-17-8)13(16)11-7-18-14-10(11)3-2-4-12(14)15/h2-4,7-9,13,16H,5-6H2,1H3.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol?
(7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol has a molecular weight of 327.24 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol is sourced from PubChem (CID 81153940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).