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

C10H12BrClO2S — CID 102835170

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol
SMILESCC1(C(O)c2cc(Br)c(Cl)s2)CCCO1
InChIInChI=1S/C10H12BrClO2S/c1-10(3-2-4-14-10)8(13)7-5-6(11)9(12)15-7/h5,8,13H,2-4H2,1H3
InChIKeyFFAUWOUOWPCGEH-UHFFFAOYSA-N
MW311.63 g/mol
LogP3.77
Rot. Bonds2

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

(4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol (PubChem CID 102835170) has the molecular formula C10H12BrClO2S and a molecular weight of 311.63 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol
PubChem CID102835170
Molecular FormulaC10H12BrClO2S
Molecular Weight311.63 g/mol
Exact Mass309.94
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol
SMILESCC1(C(O)c2cc(Br)c(Cl)s2)CCCO1
InChIInChI=1S/C10H12BrClO2S/c1-10(3-2-4-14-10)8(13)7-5-6(11)9(12)15-7/h5,8,13H,2-4H2,1H3
InChIKeyFFAUWOUOWPCGEH-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol
CID 130553458
[1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 130513429
2-[bromo-(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyloxolane
CID 102835783
[1-(aminomethyl)-3-methylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102845386
(4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol
CID 80684689
3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene
CID 131002567
(2-methyloxan-2-yl)-thiophen-2-ylmethanol
CID 80685813
(4-bromo-5-chlorothiophen-2-yl)-(oxolan-2-yl)methanol
CID 102835045
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102845379
3-bromo-2-chloro-5-(1-chloro-2-cycloheptylethyl)thiophene
CID 102836528
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine
CID 102828032
(5-chloro-4-methylthiophen-2-yl)-(1-methylcyclopentyl)methanol
CID 102764522

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol (CID 102835170) is (4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol is CC1(C(O)c2cc(Br)c(Cl)s2)CCCO1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol?
The InChIKey is FFAUWOUOWPCGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2S/c1-10(3-2-4-14-10)8(13)7-5-6(11)9(12)15-7/h5,8,13H,2-4H2,1H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol has a molecular weight of 311.63 g/mol, XLogP of 3.77, 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)-(2-methyloxolan-2-yl)methanol is sourced from PubChem (CID 102835170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).