[7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol

C16H13BrOS — CID 67186584

IUPAC[7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol
SMILESCc1c(CO)sc2c(-c3cccc(Br)c3)cccc12
InChIInChI=1S/C16H13BrOS/c1-10-13-6-3-7-14(16(13)19-15(10)9-18)11-4-2-5-12(17)8-11/h2-8,18H,9H2,1H3
InChIKeyXIXZLOHCXHRENM-UHFFFAOYSA-N
MW333.25 g/mol
LogP5.13
Rot. Bonds2

About [7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol

[7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol (PubChem CID 67186584) has the molecular formula C16H13BrOS and a molecular weight of 333.25 g/mol. Its IUPAC name is [7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol.

Molecular Properties

Compound Name[7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol
PubChem CID67186584
Molecular FormulaC16H13BrOS
Molecular Weight333.25 g/mol
Exact Mass331.99
IUPAC Name[7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol
SMILESCc1c(CO)sc2c(-c3cccc(Br)c3)cccc12
InChIInChI=1S/C16H13BrOS/c1-10-13-6-3-7-14(16(13)19-15(10)9-18)11-4-2-5-12(17)8-11/h2-8,18H,9H2,1H3
InChIKeyXIXZLOHCXHRENM-UHFFFAOYSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.25
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-bromophenyl)phenyl]methanol
CID 1393420
3-fluoro-5-[2-(hydroxymethyl)-3-methyl-1-benzothiophen-7-yl]benzoic acid
CID 67185568
CID 160539754
CID 160539754
10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzothiole
CID 118616658
1-bromo-3-iodobenzene;4-[4-(3-bromophenyl)phenyl]dibenzothiophene;(4-dibenzothiophen-4-ylphenyl)boronic acid
CID 160517379
4-(3-bromo-5-phenylphenyl)dibenzothiophene
CID 142380549
[3-(bromomethyl)-7-methyl-1-benzothiophen-2-yl]methanol
CID 130971621
[3-(3-bromophenyl)-1-nitronaphthalen-2-yl]methanol
CID 118893290
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
2-(3-bromophenyl)triphenylene;4-[3-(4-phenylphenyl)phenyl]-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;4,4,5,5-tetramethyl-2-[6-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]-1,3,2-dioxaborolane
CID 159299829
4-(3-bromophenyl)dibenzothiophene;(10-naphthalen-2-ylanthracen-9-yl)boronic acid;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene
CID 161071042
9-[2-(3-bromophenyl)phenyl]phenanthrene
CID 144984920

Frequently Asked Questions

What is the IUPAC name of [7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol?
The IUPAC name of [7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol (CID 67186584) is [7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol.
What is the SMILES notation for [7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol?
The canonical SMILES for [7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol is Cc1c(CO)sc2c(-c3cccc(Br)c3)cccc12.
What is the InChIKey of [7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol?
The InChIKey is XIXZLOHCXHRENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrOS/c1-10-13-6-3-7-14(16(13)19-15(10)9-18)11-4-2-5-12(17)8-11/h2-8,18H,9H2,1H3.
What are the key properties of [7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol?
[7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol has a molecular weight of 333.25 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-bromophenyl)-3-methyl-1-benzothiophen-2-yl]methanol is sourced from PubChem (CID 67186584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).