(4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone

C14H13BrOS — CID 81156986

IUPAC(4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(Br)cc2C)s1
InChIInChI=1S/C14H13BrOS/c1-8-7-11(15)4-5-12(8)13(16)14-9(2)6-10(3)17-14/h4-7H,1-3H3
InChIKeyZBHAJHMFLVUAKB-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.67
Rot. Bonds2

About (4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone

(4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone (PubChem CID 81156986) has the molecular formula C14H13BrOS and a molecular weight of 309.23 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone
PubChem CID81156986
Molecular FormulaC14H13BrOS
Molecular Weight309.23 g/mol
Exact Mass307.99
IUPAC Name(4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(Br)cc2C)s1
InChIInChI=1S/C14H13BrOS/c1-8-7-11(15)4-5-12(8)13(16)14-9(2)6-10(3)17-14/h4-7H,1-3H3
InChIKeyZBHAJHMFLVUAKB-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79997217
(2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 13113637
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81157333
(3-bromo-4-chlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 107998381
4-bromo-2-methylbenzenecarbothioic S-acid
CID 87286158
(4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299227
(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
CID 112694073
(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81155980
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354
(4-bromo-2-methylphenyl)-(1,3-thiazol-2-yl)methanone
CID 18405006

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone (CID 81156986) is (4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone is Cc1cc(C)c(C(=O)c2ccc(Br)cc2C)s1.
What is the InChIKey of (4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The InChIKey is ZBHAJHMFLVUAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS/c1-8-7-11(15)4-5-12(8)13(16)14-9(2)6-10(3)17-14/h4-7H,1-3H3.
What are the key properties of (4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone?
(4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone has a molecular weight of 309.23 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 81156986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).