(2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone

C15H13BrO2S — CID 79214245

IUPAC(2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccccc2SC)c(Br)c1
InChIInChI=1S/C15H13BrO2S/c1-18-10-7-8-11(13(16)9-10)15(17)12-5-3-4-6-14(12)19-2/h3-9H,1-2H3
InChIKeyDJVBYUJIOIMFDW-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.41
Rot. Bonds4

About (2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone

(2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone (PubChem CID 79214245) has the molecular formula C15H13BrO2S and a molecular weight of 337.24 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
PubChem CID79214245
Molecular FormulaC15H13BrO2S
Molecular Weight337.24 g/mol
Exact Mass335.98
IUPAC Name(2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccccc2SC)c(Br)c1
InChIInChI=1S/C15H13BrO2S/c1-18-10-7-8-11(13(16)9-10)15(17)12-5-3-4-6-14(12)19-2/h3-9H,1-2H3
InChIKeyDJVBYUJIOIMFDW-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-methoxyphenyl)-(2-bromophenyl)methanone
CID 138970439
(2-bromophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561746
(4-bromonaphthalen-1-yl)-(2-methylsulfanylphenyl)methanone
CID 79593292
(2-bromo-5-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60788123
(4-bromo-2-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60786111
(3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 112580783
(5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
CID 115793452
2,5-bis(2-methylsulfanylbenzoyl)terephthalic acid
CID 23586491
(3-bromo-5-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanone
CID 79214857
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62505963
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone (CID 79214245) is (2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone is COc1ccc(C(=O)c2ccccc2SC)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone?
The InChIKey is DJVBYUJIOIMFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2S/c1-18-10-7-8-11(13(16)9-10)15(17)12-5-3-4-6-14(12)19-2/h3-9H,1-2H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone?
(2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone has a molecular weight of 337.24 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 79214245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).