3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one

C23H24FNO3 — CID 58283726

IUPAC3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(-c2ccc(F)cc2)cc1C1=C(O)C2(CCC(CO)CC2)NC1=O
InChIInChI=1S/C23H24FNO3/c1-14-2-3-17(16-4-6-18(24)7-5-16)12-19(14)20-21(27)23(25-22(20)28)10-8-15(13-26)9-11-23/h2-7,12,15,26-27H,8-11,13H2,1H3,(H,25,28)
InChIKeyYVBBHCDQXRUYME-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.12
Rot. Bonds3

About 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one

3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 58283726) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID58283726
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Name3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(-c2ccc(F)cc2)cc1C1=C(O)C2(CCC(CO)CC2)NC1=O
InChIInChI=1S/C23H24FNO3/c1-14-2-3-17(16-4-6-18(24)7-5-16)12-19(14)20-21(27)23(25-22(20)28)10-8-15(13-26)9-11-23/h2-7,12,15,26-27H,8-11,13H2,1H3,(H,25,28)
InChIKeyYVBBHCDQXRUYME-UHFFFAOYSA-N
XLogP4.12
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one (CID 58283726) is 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one is Cc1ccc(-c2ccc(F)cc2)cc1C1=C(O)C2(CCC(CO)CC2)NC1=O.
What is the InChIKey of 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is YVBBHCDQXRUYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3/c1-14-2-3-17(16-4-6-18(24)7-5-16)12-19(14)20-21(27)23(25-22(20)28)10-8-15(13-26)9-11-23/h2-7,12,15,26-27H,8-11,13H2,1H3,(H,25,28).
What are the key properties of 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one?
3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 381.45 g/mol, XLogP of 4.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-2-methylphenyl]-4-hydroxy-8-(hydroxymethyl)-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 58283726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).