(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol

C16H12BrClOS — CID 107098916

IUPAC(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
SMILESCc1c(Cl)cccc1C(O)c1csc2c(Br)cccc12
InChIInChI=1S/C16H12BrClOS/c1-9-10(4-3-7-14(9)18)15(19)12-8-20-16-11(12)5-2-6-13(16)17/h2-8,15,19H,1H3
InChIKeyQISHFGOBFKDGDG-UHFFFAOYSA-N
MW367.70 g/mol
LogP5.71
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol

(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol (PubChem CID 107098916) has the molecular formula C16H12BrClOS and a molecular weight of 367.70 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
PubChem CID107098916
Molecular FormulaC16H12BrClOS
Molecular Weight367.70 g/mol
Exact Mass365.95
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
SMILESCc1c(Cl)cccc1C(O)c1csc2c(Br)cccc12
InChIInChI=1S/C16H12BrClOS/c1-9-10(4-3-7-14(9)18)15(19)12-8-20-16-11(12)5-2-6-13(16)17/h2-8,15,19H,1H3
InChIKeyQISHFGOBFKDGDG-UHFFFAOYSA-N
XLogP5.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.70
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol
CID 81153521
(7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol
CID 81153527
(7-bromo-1-benzothiophen-3-yl)-(2-iodophenyl)methanol
CID 81153133
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
CID 81324957
(7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol
CID 81153735
(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol
CID 81153234
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol
CID 81153432
(7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine
CID 81142277
(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol
CID 107103539
7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817
1-(7-bromo-1-benzothiophen-3-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81264968
(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol
CID 81154055

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol (CID 107098916) is (7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol is Cc1c(Cl)cccc1C(O)c1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol?
The InChIKey is QISHFGOBFKDGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClOS/c1-9-10(4-3-7-14(9)18)15(19)12-8-20-16-11(12)5-2-6-13(16)17/h2-8,15,19H,1H3.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol?
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol has a molecular weight of 367.70 g/mol, XLogP of 5.71, 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)-(3-chloro-2-methylphenyl)methanol is sourced from PubChem (CID 107098916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).