(2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone

C13H15Cl2NO2 — CID 155561420

IUPAC(2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1
InChIInChI=1S/C13H15Cl2NO2/c1-13(2)3-4-16(7-13)12(18)11-9(15)5-8(14)6-10(11)17/h5-6,17H,3-4,7H2,1-2H3
InChIKeyXDYQEPCQMURIRD-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.57
Rot. Bonds1

About (2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone

(2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone (PubChem CID 155561420) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is (2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
PubChem CID155561420
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name(2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1
InChIInChI=1S/C13H15Cl2NO2/c1-13(2)3-4-16(7-13)12(18)11-9(15)5-8(14)6-10(11)17/h5-6,17H,3-4,7H2,1-2H3
InChIKeyXDYQEPCQMURIRD-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone (CID 155561420) is (2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone is CC1(C)CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1.
What is the InChIKey of (2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is XDYQEPCQMURIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-13(2)3-4-16(7-13)12(18)11-9(15)5-8(14)6-10(11)17/h5-6,17H,3-4,7H2,1-2H3.
What are the key properties of (2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
(2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 288.17 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 155561420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).