(7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol

C14H15BrOS — CID 81153438

IUPAC(7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol
SMILESOC(c1csc2c(Br)cccc12)C1CCCC1
InChIInChI=1S/C14H15BrOS/c15-12-7-3-6-10-11(8-17-14(10)12)13(16)9-4-1-2-5-9/h3,6-9,13,16H,1-2,4-5H2
InChIKeyXUFPLOIYWDUHPN-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.89
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol

(7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol (PubChem CID 81153438) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol
PubChem CID81153438
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol
SMILESOC(c1csc2c(Br)cccc12)C1CCCC1
InChIInChI=1S/C14H15BrOS/c15-12-7-3-6-10-11(8-17-14(10)12)13(16)9-4-1-2-5-9/h3,6-9,13,16H,1-2,4-5H2
InChIKeyXUFPLOIYWDUHPN-UHFFFAOYSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-3-(1-bromo-2-cyclohexylethyl)-1-benzothiophene
CID 81147613
1-(7-bromo-1-benzothiophen-3-yl)-2-cyclohexylethanamine
CID 81141835
(7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
CID 81153940
7-bromo-3-(1-bromo-2-cyclobutylethyl)-1-benzothiophene
CID 103165984
7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817
(7-bromo-1-benzothiophen-3-yl)-(1-methylcyclohexyl)methanol
CID 106828373
(4-bromonaphthalen-1-yl)-cyclohexylmethanol
CID 79596872
1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 81141916
(7-bromo-1-benzothiophen-3-yl)-(2-iodophenyl)methanol
CID 81153133
(7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol
CID 81153521
(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol
CID 81154055
7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene
CID 114021677

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol (CID 81153438) is (7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol is OC(c1csc2c(Br)cccc12)C1CCCC1.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol?
The InChIKey is XUFPLOIYWDUHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c15-12-7-3-6-10-11(8-17-14(10)12)13(16)9-4-1-2-5-9/h3,6-9,13,16H,1-2,4-5H2.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol?
(7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol has a molecular weight of 311.24 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol is sourced from PubChem (CID 81153438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).