(4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol

C9H10BrClO2S — CID 102835045

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol
SMILESOC(c1cc(Br)c(Cl)s1)C1CCCO1
InChIInChI=1S/C9H10BrClO2S/c10-5-4-7(14-9(5)11)8(12)6-2-1-3-13-6/h4,6,8,12H,1-3H2
InChIKeyKQSXIXZQDCIGFY-UHFFFAOYSA-N
MW297.60 g/mol
LogP3.38
Rot. Bonds2

About (4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol

(4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol (PubChem CID 102835045) has the molecular formula C9H10BrClO2S and a molecular weight of 297.60 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol
PubChem CID102835045
Molecular FormulaC9H10BrClO2S
Molecular Weight297.60 g/mol
Exact Mass295.93
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol
SMILESOC(c1cc(Br)c(Cl)s1)C1CCCO1
InChIInChI=1S/C9H10BrClO2S/c10-5-4-7(14-9(5)11)8(12)6-2-1-3-13-6/h4,6,8,12H,1-3H2
InChIKeyKQSXIXZQDCIGFY-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.60
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-2-yl-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102830007
2-[3-bromo-3-(4-bromo-5-chlorothiophen-2-yl)propyl]oxane
CID 102836770
2-[(4-bromo-5-chlorothiophen-2-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid
CID 102829020
oxolan-2-yl(thiophen-2-yl)methanol
CID 61087499
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165549
(4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol
CID 102835170
(4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol
CID 102830337
3-bromo-5-[bromo(cyclooctyl)methyl]-2-chlorothiophene
CID 102836764
3-bromo-2-chloro-5-[chloro(cyclooctyl)methyl]thiophene
CID 102836286
6-[(4-bromo-5-chlorothiophen-2-yl)-hydroxymethyl]cyclohex-3-ene-1-carboxylic acid
CID 102829017
2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane
CID 61096141
(4,5-dibromothiophen-2-yl)-(oxan-3-yl)methanol
CID 80535369

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol (CID 102835045) is (4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol is OC(c1cc(Br)c(Cl)s1)C1CCCO1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol?
The InChIKey is KQSXIXZQDCIGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO2S/c10-5-4-7(14-9(5)11)8(12)6-2-1-3-13-6/h4,6,8,12H,1-3H2.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol has a molecular weight of 297.60 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol is sourced from PubChem (CID 102835045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).