(5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol

C13H12BrNOS — CID 65042831

IUPAC(5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol
SMILESOC(c1ccc(Br)s1)C1Cc2ccccc2N1
InChIInChI=1S/C13H12BrNOS/c14-12-6-5-11(17-12)13(16)10-7-8-3-1-2-4-9(8)15-10/h1-6,10,13,15-16H,7H2
InChIKeyWTIBDHDDMXWWCE-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.58
Rot. Bonds2

About (5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol

(5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol (PubChem CID 65042831) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol
PubChem CID65042831
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC Name(5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol
SMILESOC(c1ccc(Br)s1)C1Cc2ccccc2N1
InChIInChI=1S/C13H12BrNOS/c14-12-6-5-11(17-12)13(16)10-7-8-3-1-2-4-9(8)15-10/h1-6,10,13,15-16H,7H2
InChIKeyWTIBDHDDMXWWCE-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol
CID 3825939
2,3-dihydro-1H-indol-2-yl(pyridin-3-yl)methanol
CID 65042396
2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol
CID 65042206
(2,4-dichlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanol
CID 65042297
1-(2,3-dihydro-1H-indol-2-yl)-N-methylethanamine
CID 83860499
(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol
CID 106818099
2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527971
2-butan-2-yl-2,3-dihydro-1H-indole
CID 70399536
(2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61165378
2-adamantyl-(5-bromothiophen-2-yl)methanol
CID 81096245
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76895076

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol (CID 65042831) is (5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol is OC(c1ccc(Br)s1)C1Cc2ccccc2N1.
What is the InChIKey of (5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol?
The InChIKey is WTIBDHDDMXWWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c14-12-6-5-11(17-12)13(16)10-7-8-3-1-2-4-9(8)15-10/h1-6,10,13,15-16H,7H2.
What are the key properties of (5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol?
(5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol has a molecular weight of 310.22 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol is sourced from PubChem (CID 65042831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).