(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol

C10H12BrClOS — CID 130553458

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol
SMILESCCC1(C(O)c2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C10H12BrClOS/c1-2-10(3-4-10)8(13)7-5-6(11)9(12)14-7/h5,8,13H,2-4H2,1H3
InChIKeyBRPPQSIBDWZION-UHFFFAOYSA-N
MW295.63 g/mol
LogP4.39
Rot. Bonds3

About (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol

(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol (PubChem CID 130553458) has the molecular formula C10H12BrClOS and a molecular weight of 295.63 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol
PubChem CID130553458
Molecular FormulaC10H12BrClOS
Molecular Weight295.63 g/mol
Exact Mass293.95
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol
SMILESCCC1(C(O)c2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C10H12BrClOS/c1-2-10(3-4-10)8(13)7-5-6(11)9(12)14-7/h5,8,13H,2-4H2,1H3
InChIKeyBRPPQSIBDWZION-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.63
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 130513429
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102845379
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine
CID 102828032
[1-(aminomethyl)-3-methylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102845386
(4-bromo-5-chlorothiophen-2-yl)-(2-methyloxolan-2-yl)methanol
CID 102835170
N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 102828514
N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine
CID 102828748
3-bromo-5-[1-bromo-2-(1-methylcyclopropyl)ethyl]-2-chlorothiophene
CID 131002567
1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
CID 102830262
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 102829878
3-bromo-2-chloro-5-(1-chlorobutyl)thiophene
CID 102836404
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 102839181

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol (CID 130553458) is (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol is CCC1(C(O)c2cc(Br)c(Cl)s2)CC1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol?
The InChIKey is BRPPQSIBDWZION-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClOS/c1-2-10(3-4-10)8(13)7-5-6(11)9(12)14-7/h5,8,13H,2-4H2,1H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol has a molecular weight of 295.63 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol is sourced from PubChem (CID 130553458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).