(3-bromophenyl)-(3-methyl-1-benzothiophen-2-yl)methanol

C16H13BrOS — CID 67186585

IUPAC(3-bromophenyl)-(3-methyl-1-benzothiophen-2-yl)methanol
SMILESCc1c(C(O)c2cccc(Br)c2)sc2ccccc12
InChIInChI=1S/C16H13BrOS/c1-10-13-7-2-3-8-14(13)19-16(10)15(18)11-5-4-6-12(17)9-11/h2-9,15,18H,1H3
InChIKeyVNOYMHVFUMARMY-UHFFFAOYSA-N
MW333.25 g/mol
LogP5.05
Rot. Bonds2

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

(3-bromophenyl)-(3-methyl-1-benzothiophen-2-yl)methanol (PubChem CID 67186585) has the molecular formula C16H13BrOS and a molecular weight of 333.25 g/mol. Its IUPAC name is (3-bromophenyl)-(3-methyl-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-bromophenyl)-(3-methyl-1-benzothiophen-2-yl)methanol
PubChem CID67186585
Molecular FormulaC16H13BrOS
Molecular Weight333.25 g/mol
Exact Mass331.99
IUPAC Name(3-bromophenyl)-(3-methyl-1-benzothiophen-2-yl)methanol
SMILESCc1c(C(O)c2cccc(Br)c2)sc2ccccc12
InChIInChI=1S/C16H13BrOS/c1-10-13-7-2-3-8-14(13)19-16(10)15(18)11-5-4-6-12(17)9-11/h2-9,15,18H,1H3
InChIKeyVNOYMHVFUMARMY-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

3-bromo-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 43762871
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 82684826
(4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol
CID 79597081
(3-bromophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099273
(1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351876
5-bromo-2-chloro-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 63477562
(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082620
(R)-(3-bromophenyl)-(3-chloro-2-methylphenyl)methanol
CID 97293535
(3-bromophenyl)-(2-ethylphenyl)methanol
CID 91657859
(3-bromophenyl)-(2,5-dimethylphenyl)methanol
CID 61089224
methyl 2,3-dihydroxy-3-(3-methyl-1-benzothiophen-2-yl)propanoate
CID 171865416
(3-bromophenyl)-(3-methylsulfanylphenyl)methanol
CID 91657590

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(3-methyl-1-benzothiophen-2-yl)methanol?
The IUPAC name of (3-bromophenyl)-(3-methyl-1-benzothiophen-2-yl)methanol (CID 67186585) is (3-bromophenyl)-(3-methyl-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (3-bromophenyl)-(3-methyl-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (3-bromophenyl)-(3-methyl-1-benzothiophen-2-yl)methanol is Cc1c(C(O)c2cccc(Br)c2)sc2ccccc12.
What is the InChIKey of (3-bromophenyl)-(3-methyl-1-benzothiophen-2-yl)methanol?
The InChIKey is VNOYMHVFUMARMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrOS/c1-10-13-7-2-3-8-14(13)19-16(10)15(18)11-5-4-6-12(17)9-11/h2-9,15,18H,1H3.
What are the key properties of (3-bromophenyl)-(3-methyl-1-benzothiophen-2-yl)methanol?
(3-bromophenyl)-(3-methyl-1-benzothiophen-2-yl)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 (3-bromophenyl)-(3-methyl-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 67186585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).