(7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol

C16H12BrClOS — CID 81324957

IUPAC(7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
SMILESCc1cc(Cl)cc(C(O)c2csc3c(Br)cccc23)c1
InChIInChI=1S/C16H12BrClOS/c1-9-5-10(7-11(18)6-9)15(19)13-8-20-16-12(13)3-2-4-14(16)17/h2-8,15,19H,1H3
InChIKeyNNHNGSRWNBVWNC-UHFFFAOYSA-N
MW367.70 g/mol
LogP5.71
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol

(7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol (PubChem CID 81324957) 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-5-methylphenyl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
PubChem CID81324957
Molecular FormulaC16H12BrClOS
Molecular Weight367.70 g/mol
Exact Mass365.95
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
SMILESCc1cc(Cl)cc(C(O)c2csc3c(Br)cccc23)c1
InChIInChI=1S/C16H12BrClOS/c1-9-5-10(7-11(18)6-9)15(19)13-8-20-16-12(13)3-2-4-14(16)17/h2-8,15,19H,1H3
InChIKeyNNHNGSRWNBVWNC-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

Analyze (7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)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

(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol
CID 81153234
(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 81128771
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol
CID 81153432
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098916
(7-bromo-1-benzothiophen-3-yl)-(3,5-dimethylphenyl)methanamine
CID 81142574
1-(7-bromo-1-benzothiophen-3-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 81132190
(7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol
CID 81153521
(4-bromothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
CID 115820132
(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol
CID 81154055
1-(7-bromo-1-benzothiophen-3-yl)-1-(3-bromo-5-methylphenyl)-N-methylmethanamine
CID 104851379
(3-chloro-5-methylphenyl)-(2,5-dibromophenyl)methanol
CID 81324953
(7-bromo-1-benzothiophen-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81128772

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol (CID 81324957) is (7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol is Cc1cc(Cl)cc(C(O)c2csc3c(Br)cccc23)c1.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol?
The InChIKey is NNHNGSRWNBVWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClOS/c1-9-5-10(7-11(18)6-9)15(19)13-8-20-16-12(13)3-2-4-14(16)17/h2-8,15,19H,1H3.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol?
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-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-5-methylphenyl)methanol is sourced from PubChem (CID 81324957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).