(5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone

C16H11BrO2S — CID 63491329

IUPAC(5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3ccc(Br)s3)ccc2c1
InChIInChI=1S/C16H11BrO2S/c1-19-13-5-4-10-8-12(3-2-11(10)9-13)16(18)14-6-7-15(17)20-14/h2-9H,1H3
InChIKeyOQWHFFDUKSTWSE-UHFFFAOYSA-N
MW347.23 g/mol
LogP4.90
Rot. Bonds3

About (5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone

(5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone (PubChem CID 63491329) has the molecular formula C16H11BrO2S and a molecular weight of 347.23 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
PubChem CID63491329
Molecular FormulaC16H11BrO2S
Molecular Weight347.23 g/mol
Exact Mass345.97
IUPAC Name(5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3ccc(Br)s3)ccc2c1
InChIInChI=1S/C16H11BrO2S/c1-19-13-5-4-10-8-12(3-2-11(10)9-13)16(18)14-6-7-15(17)20-14/h2-9H,1H3
InChIKeyOQWHFFDUKSTWSE-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone 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

(5-bromothiophen-2-yl)-(3-methoxy-4-methylphenyl)methanone
CID 61103194
5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 26662523
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
7-methoxy-3-(6-methoxynaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
CID 54292722
1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone
CID 62023000
[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473760
(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
(5-bromothiophen-2-yl)-(3-methylphenyl)methanone
CID 61101862
(5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone
CID 82093989
(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81121662
(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 80645338

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone (CID 63491329) is (5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone is COc1ccc2cc(C(=O)c3ccc(Br)s3)ccc2c1.
What is the InChIKey of (5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone?
The InChIKey is OQWHFFDUKSTWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO2S/c1-19-13-5-4-10-8-12(3-2-11(10)9-13)16(18)14-6-7-15(17)20-14/h2-9H,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone?
(5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone has a molecular weight of 347.23 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 63491329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).