(5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone

C15H15BrO2S — CID 79996537

IUPAC(5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCc1cc(C(=O)c2cccc(OC(C)C)c2)sc1Br
InChIInChI=1S/C15H15BrO2S/c1-9(2)18-12-6-4-5-11(8-12)14(17)13-7-10(3)15(16)19-13/h4-9H,1-3H3
InChIKeyMOXCLNGNTMWLAI-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.84
Rot. Bonds4

About (5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone

(5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone (PubChem CID 79996537) has the molecular formula C15H15BrO2S and a molecular weight of 339.25 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
PubChem CID79996537
Molecular FormulaC15H15BrO2S
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCc1cc(C(=O)c2cccc(OC(C)C)c2)sc1Br
InChIInChI=1S/C15H15BrO2S/c1-9(2)18-12-6-4-5-11(8-12)14(17)13-7-10(3)15(16)19-13/h4-9H,1-3H3
InChIKeyMOXCLNGNTMWLAI-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63491128
(3-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 63492313
(5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone
CID 79982080
(5-bromo-4-methylthiophen-2-yl)-(3,5-difluorophenyl)methanone
CID 79997059
(2-amino-4-bromophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 116591865
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 107944669
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 114971371
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875843
(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115813197
furan-2-yl-(3-propan-2-yloxyphenyl)methanone
CID 62919464
(4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone
CID 115815063
(3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 80529913

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone (CID 79996537) is (5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone is Cc1cc(C(=O)c2cccc(OC(C)C)c2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is MOXCLNGNTMWLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2S/c1-9(2)18-12-6-4-5-11(8-12)14(17)13-7-10(3)15(16)19-13/h4-9H,1-3H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone?
(5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 339.25 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 79996537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).