(5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol

C10H12BrClO2S — CID 80532330

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol
SMILESOC(c1cc(Cl)c(Br)s1)C1CCCOC1
InChIInChI=1S/C10H12BrClO2S/c11-10-7(12)4-8(15-10)9(13)6-2-1-3-14-5-6/h4,6,9,13H,1-3,5H2
InChIKeyUSXVWCCSLMLGPH-UHFFFAOYSA-N
MW311.63 g/mol
LogP3.62
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol

(5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol (PubChem CID 80532330) has the molecular formula C10H12BrClO2S and a molecular weight of 311.63 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol
PubChem CID80532330
Molecular FormulaC10H12BrClO2S
Molecular Weight311.63 g/mol
Exact Mass309.94
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol
SMILESOC(c1cc(Cl)c(Br)s1)C1CCCOC1
InChIInChI=1S/C10H12BrClO2S/c11-10-7(12)4-8(15-10)9(13)6-2-1-3-14-5-6/h4,6,9,13H,1-3,5H2
InChIKeyUSXVWCCSLMLGPH-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.63
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dibromothiophen-2-yl)-(oxan-3-yl)methanol
CID 80535369
(5-bromo-4-chlorothiophen-2-yl)-cyclooctylmethanol
CID 80532299
3-[(5-bromo-4-chlorothiophen-2-yl)-chloromethyl]oxolane
CID 80533380
N-[(5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 80531999
(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol
CID 107181811
(2,5-dichlorophenyl)-(oxan-3-yl)methanol
CID 63013314
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165500
(4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol
CID 80535371
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol
CID 107136089
(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol
CID 107002549
(5-bromo-2-methylphenyl)-(oxan-3-yl)methanol
CID 107139423

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol (CID 80532330) is (5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol is OC(c1cc(Cl)c(Br)s1)C1CCCOC1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol?
The InChIKey is USXVWCCSLMLGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2S/c11-10-7(12)4-8(15-10)9(13)6-2-1-3-14-5-6/h4,6,9,13H,1-3,5H2.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol?
(5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol has a molecular weight of 311.63 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol is sourced from PubChem (CID 80532330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).