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

C16H13BrOS — CID 81153234

IUPAC(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2csc3c(Br)cccc23)c1
InChIInChI=1S/C16H13BrOS/c1-10-4-2-5-11(8-10)15(18)13-9-19-16-12(13)6-3-7-14(16)17/h2-9,15,18H,1H3
InChIKeyXGSLASRSBUQGKI-UHFFFAOYSA-N
MW333.25 g/mol
LogP5.05
Rot. Bonds2

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

(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol (PubChem CID 81153234) has the molecular formula C16H13BrOS and a molecular weight of 333.25 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol
PubChem CID81153234
Molecular FormulaC16H13BrOS
Molecular Weight333.25 g/mol
Exact Mass331.99
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2csc3c(Br)cccc23)c1
InChIInChI=1S/C16H13BrOS/c1-10-4-2-5-11(8-10)15(18)13-9-19-16-12(13)6-3-7-14(16)17/h2-9,15,18H,1H3
InChIKeyXGSLASRSBUQGKI-UHFFFAOYSA-N
XLogP5.05
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 ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
CID 81324957
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol
CID 81153432
(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 81128771
(7-bromo-1-benzothiophen-3-yl)-(3,5-dimethylphenyl)methanamine
CID 81142574
(7-bromo-1-benzothiophen-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81128772
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098916
(7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol
CID 81153527
7-bromo-3-[(2-bromo-5-methylphenyl)-chloromethyl]-1-benzothiophene
CID 81152926
1-(7-bromo-1-benzothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 81142132
(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

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol (CID 81153234) is (7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol is Cc1cccc(C(O)c2csc3c(Br)cccc23)c1.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol?
The InChIKey is XGSLASRSBUQGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrOS/c1-10-4-2-5-11(8-10)15(18)13-9-19-16-12(13)6-3-7-14(16)17/h2-9,15,18H,1H3.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol?
(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol has a molecular weight of 333.25 g/mol, XLogP of 5.05, 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-methylphenyl)methanol is sourced from PubChem (CID 81153234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).