[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone

C18H13BrOS — CID 81266983

IUPAC[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone
SMILESO=C(c1ccc(-c2ccc3cc(Br)ccc3c2)s1)C1CC1
InChIInChI=1S/C18H13BrOS/c19-15-6-5-12-9-14(4-3-13(12)10-15)16-7-8-17(21-16)18(20)11-1-2-11/h3-11H,1-2H2
InChIKeyTZTPWPSMXAQTRD-UHFFFAOYSA-N
MW357.27 g/mol
LogP5.92
Rot. Bonds3

About [5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone

[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone (PubChem CID 81266983) has the molecular formula C18H13BrOS and a molecular weight of 357.27 g/mol. Its IUPAC name is [5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone
PubChem CID81266983
Molecular FormulaC18H13BrOS
Molecular Weight357.27 g/mol
Exact Mass355.99
IUPAC Name[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone
SMILESO=C(c1ccc(-c2ccc3cc(Br)ccc3c2)s1)C1CC1
InChIInChI=1S/C18H13BrOS/c19-15-6-5-12-9-14(4-3-13(12)10-15)16-7-8-17(21-16)18(20)11-1-2-11/h3-11H,1-2H2
InChIKeyTZTPWPSMXAQTRD-UHFFFAOYSA-N
XLogP5.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.27
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone
CID 43154050
1-[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]ethanone
CID 81259902
[5-(3-bromo-4-methylphenyl)thiophen-2-yl]-cyclopropylmethanone
CID 63400597
[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone
CID 43331776
cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone
CID 107586193
5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid
CID 84720733
(5-bromothiophen-2-yl)-cyclooctylmethanone
CID 65018784
cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone
CID 43154038
2,6-dibromonaphthalene
CID 640591
5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119442269
5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 46441580
1-(6-bromonaphthalen-2-yl)-3-cyclopropylpropan-1-one
CID 114978147

Frequently Asked Questions

What is the IUPAC name of [5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone (CID 81266983) is [5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone is O=C(c1ccc(-c2ccc3cc(Br)ccc3c2)s1)C1CC1.
What is the InChIKey of [5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is TZTPWPSMXAQTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrOS/c19-15-6-5-12-9-14(4-3-13(12)10-15)16-7-8-17(21-16)18(20)11-1-2-11/h3-11H,1-2H2.
What are the key properties of [5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone?
[5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 357.27 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-bromonaphthalen-2-yl)thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 81266983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).