(4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol

C10H12Br2O2S — CID 80535371

IUPAC(4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol
SMILESOC(c1cc(Br)c(Br)s1)C1CCOCC1
InChIInChI=1S/C10H12Br2O2S/c11-7-5-8(15-10(7)12)9(13)6-1-3-14-4-2-6/h5-6,9,13H,1-4H2
InChIKeyRPTWSURSHWEPLG-UHFFFAOYSA-N
MW356.08 g/mol
LogP3.73
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol

(4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol (PubChem CID 80535371) has the molecular formula C10H12Br2O2S and a molecular weight of 356.08 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol
PubChem CID80535371
Molecular FormulaC10H12Br2O2S
Molecular Weight356.08 g/mol
Exact Mass353.89
IUPAC Name(4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol
SMILESOC(c1cc(Br)c(Br)s1)C1CCOCC1
InChIInChI=1S/C10H12Br2O2S/c11-7-5-8(15-10(7)12)9(13)6-1-3-14-4-2-6/h5-6,9,13H,1-4H2
InChIKeyRPTWSURSHWEPLG-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.08
LogP ≤ 53.73
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-methylthiophen-2-yl)-cycloheptylmethanol
CID 79991365
(6-chlorothieno[2,3-b]pyridin-2-yl)-(oxan-4-yl)methanol
CID 172542463
(4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol
CID 80535555
(3,5-dibromophenyl)-(oxan-4-yl)methanol
CID 107978364
(4-bromo-5-methylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 102829795
(5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol
CID 80532330
(S)-oxan-4-yl(thiophen-2-yl)methanol
CID 129368530
(5-bromo-4-chlorothiophen-2-yl)-cyclooctylmethanol
CID 80532299
(S)-(5-bromo-4-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 131603717
(3-bromo-4-chlorophenyl)-(oxan-4-yl)methanol
CID 115566537
2,3-dibromo-5-[bromo(cyclohexyl)methyl]thiophene
CID 80534412

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol (CID 80535371) is (4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol is OC(c1cc(Br)c(Br)s1)C1CCOCC1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol?
The InChIKey is RPTWSURSHWEPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O2S/c11-7-5-8(15-10(7)12)9(13)6-1-3-14-4-2-6/h5-6,9,13H,1-4H2.
What are the key properties of (4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol?
(4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol has a molecular weight of 356.08 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol is sourced from PubChem (CID 80535371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).