(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol

C10H12BrClOS — CID 107002549

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol
SMILESCC1(C)CC1C(O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H12BrClOS/c1-10(2)4-5(10)8(13)7-3-6(12)9(11)14-7/h3,5,8,13H,4H2,1-2H3
InChIKeyBHFKLSKXABBWAN-UHFFFAOYSA-N
MW295.63 g/mol
LogP4.24
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol

(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol (PubChem CID 107002549) has the molecular formula C10H12BrClOS and a molecular weight of 295.63 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol
PubChem CID107002549
Molecular FormulaC10H12BrClOS
Molecular Weight295.63 g/mol
Exact Mass293.95
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol
SMILESCC1(C)CC1C(O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H12BrClOS/c1-10(2)4-5(10)8(13)7-3-6(12)9(11)14-7/h3,5,8,13H,4H2,1-2H3
InChIKeyBHFKLSKXABBWAN-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.63
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol
CID 107181811
(5-bromo-4-chlorothiophen-2-yl)-cyclooctylmethanol
CID 80532299
2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene
CID 80533486
(5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol
CID 80532330
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165500
1-(5-bromo-4-chlorothiophen-2-yl)-4-methylpentan-1-ol
CID 80532143
2-(1-adamantyl)-1-(5-bromo-4-chlorothiophen-2-yl)-N-methylethanamine
CID 80530866
1-(5-bromo-4-chlorothiophen-2-yl)-3-methylpentan-1-ol
CID 114875966
2-bromo-3-chloro-5-(1-chloropropyl)thiophene
CID 80533388
1-(5-bromo-4-chlorothiophen-2-yl)-3,4,4-trimethylpentan-1-ol
CID 80532259
2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene
CID 80533267
(5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
CID 80530693

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol (CID 107002549) is (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol is CC1(C)CC1C(O)c1cc(Cl)c(Br)s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol?
The InChIKey is BHFKLSKXABBWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClOS/c1-10(2)4-5(10)8(13)7-3-6(12)9(11)14-7/h3,5,8,13H,4H2,1-2H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol?
(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol has a molecular weight of 295.63 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol is sourced from PubChem (CID 107002549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).