(3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone

C12H9Cl2NO2 — CID 23659243

IUPAC(3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)c1ccc[nH]1
InChIInChI=1S/C12H9Cl2NO2/c1-17-12-8(5-7(13)6-9(12)14)11(16)10-3-2-4-15-10/h2-6,15H,1H3
InChIKeyOYLKGDKQADCCSB-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.56
Rot. Bonds3

About (3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone

(3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone (PubChem CID 23659243) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is (3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone
PubChem CID23659243
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Name(3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)c1ccc[nH]1
InChIInChI=1S/C12H9Cl2NO2/c1-17-12-8(5-7(13)6-9(12)14)11(16)10-3-2-4-15-10/h2-6,15H,1H3
InChIKeyOYLKGDKQADCCSB-UHFFFAOYSA-N
XLogP3.56
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone (CID 23659243) is (3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone is COc1c(Cl)cc(Cl)cc1C(=O)c1ccc[nH]1.
What is the InChIKey of (3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is OYLKGDKQADCCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c1-17-12-8(5-7(13)6-9(12)14)11(16)10-3-2-4-15-10/h2-6,15H,1H3.
What are the key properties of (3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone?
(3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 270.12 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 23659243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).