3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one

C22H22ClNO2 — CID 67376522

IUPAC3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(-c2ccc(Cl)cc2)cc1C1=C(O)C2(CCCCC2)NC1=O
InChIInChI=1S/C22H22ClNO2/c1-14-5-6-16(15-7-9-17(23)10-8-15)13-18(14)19-20(25)22(24-21(19)26)11-3-2-4-12-22/h5-10,13,25H,2-4,11-12H2,1H3,(H,24,26)
InChIKeyNRLDEHIMZTTWCU-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.42
Rot. Bonds2

About 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one

3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 67376522) has the molecular formula C22H22ClNO2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID67376522
Molecular FormulaC22H22ClNO2
Molecular Weight367.88 g/mol
Exact Mass367.13
IUPAC Name3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(-c2ccc(Cl)cc2)cc1C1=C(O)C2(CCCCC2)NC1=O
InChIInChI=1S/C22H22ClNO2/c1-14-5-6-16(15-7-9-17(23)10-8-15)13-18(14)19-20(25)22(24-21(19)26)11-3-2-4-12-22/h5-10,13,25H,2-4,11-12H2,1H3,(H,24,26)
InChIKeyNRLDEHIMZTTWCU-UHFFFAOYSA-N
XLogP5.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one (CID 67376522) is 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one is Cc1ccc(-c2ccc(Cl)cc2)cc1C1=C(O)C2(CCCCC2)NC1=O.
What is the InChIKey of 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is NRLDEHIMZTTWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2/c1-14-5-6-16(15-7-9-17(23)10-8-15)13-18(14)19-20(25)22(24-21(19)26)11-3-2-4-12-22/h5-10,13,25H,2-4,11-12H2,1H3,(H,24,26).
What are the key properties of 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one?
3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 367.88 g/mol, XLogP of 5.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 67376522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).