(3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone

C12H7Br2ClOS — CID 81323702

IUPAC(3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2scc(Br)c2Br)c1
InChIInChI=1S/C12H7Br2ClOS/c1-6-2-7(4-8(15)3-6)11(16)12-10(14)9(13)5-17-12/h2-5H,1H3
InChIKeyWFZYCRVCJPMJSR-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.47
Rot. Bonds2

About (3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone

(3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone (PubChem CID 81323702) has the molecular formula C12H7Br2ClOS and a molecular weight of 394.52 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone
PubChem CID81323702
Molecular FormulaC12H7Br2ClOS
Molecular Weight394.52 g/mol
Exact Mass391.83
IUPAC Name(3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2scc(Br)c2Br)c1
InChIInChI=1S/C12H7Br2ClOS/c1-6-2-7(4-8(15)3-6)11(16)12-10(14)9(13)5-17-12/h2-5H,1H3
InChIKeyWFZYCRVCJPMJSR-UHFFFAOYSA-N
XLogP5.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone
CID 79602734
(3,4-dibromothiophen-2-yl)-(3,5-difluorophenyl)methanone
CID 79602224
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone
CID 103407438
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-5-methylphenyl)methanone
CID 81322994
(3-bromo-4-fluorophenyl)-(3,4-dibromothiophen-2-yl)methanone
CID 107949935
(3-chloro-5-methylphenyl)-thiophen-3-ylmethanone
CID 114975196
methyl 3-[(3-chloro-5-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114916201
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762901
(3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 81323467
(3-chloro-5-methylphenyl)-(2-chlorophenyl)methanone
CID 114963332
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 81323954
(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81126729

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone?
The IUPAC name of (3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone (CID 81323702) is (3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone?
The canonical SMILES for (3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone is Cc1cc(Cl)cc(C(=O)c2scc(Br)c2Br)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone?
The InChIKey is WFZYCRVCJPMJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2ClOS/c1-6-2-7(4-8(15)3-6)11(16)12-10(14)9(13)5-17-12/h2-5H,1H3.
What are the key properties of (3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone?
(3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone has a molecular weight of 394.52 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone is sourced from PubChem (CID 81323702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).