(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol

C11H11BrOS — CID 130951766

IUPAC(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol
SMILESCCc1cc2c(CO)c(Br)ccc2s1
InChIInChI=1S/C11H11BrOS/c1-2-7-5-8-9(6-13)10(12)3-4-11(8)14-7/h3-5,13H,2,6H2,1H3
InChIKeyIQTAFBVDQDMKOR-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.72
Rot. Bonds2

About (5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol

(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol (PubChem CID 130951766) has the molecular formula C11H11BrOS and a molecular weight of 271.18 g/mol. Its IUPAC name is (5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol
PubChem CID130951766
Molecular FormulaC11H11BrOS
Molecular Weight271.18 g/mol
Exact Mass269.97
IUPAC Name(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol
SMILESCCc1cc2c(CO)c(Br)ccc2s1
InChIInChI=1S/C11H11BrOS/c1-2-7-5-8-9(6-13)10(12)3-4-11(8)14-7/h3-5,13H,2,6H2,1H3
InChIKeyIQTAFBVDQDMKOR-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-chloro-2-ethyl-1-benzothiophene
CID 131030854
7,16-diethyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651605
4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine
CID 130788319
4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene
CID 130792061
4-bromo-2,6-diethyl-1-benzothiophene
CID 131029500
(4-bromo-1-benzothiophen-2-yl)methanol
CID 13466536
2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol
CID 130913641
[2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol
CID 130951760
7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole
CID 144783026
(2-bromo-5-iodo-1-benzothiophen-4-yl)methanol
CID 130855107
7-ethyl-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411414
3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol
CID 130898901

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol?
The IUPAC name of (5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol (CID 130951766) is (5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol is CCc1cc2c(CO)c(Br)ccc2s1.
What is the InChIKey of (5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol?
The InChIKey is IQTAFBVDQDMKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS/c1-2-7-5-8-9(6-13)10(12)3-4-11(8)14-7/h3-5,13H,2,6H2,1H3.
What are the key properties of (5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol?
(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol has a molecular weight of 271.18 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 130951766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).