4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one

C18H20N2O2 — CID 122197919

IUPAC4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one
SMILESO=C1NNC(CCc2ccc(-c3ccccc3)cc2)CC1O
InChIInChI=1S/C18H20N2O2/c21-17-12-16(19-20-18(17)22)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16-17,19,21H,8,11-12H2,(H,20,22)
InChIKeyLFBBBJWIFPMLLF-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.04
Rot. Bonds4

About 4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one

4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one (PubChem CID 122197919) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one.

Molecular Properties

Compound Name4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one
PubChem CID122197919
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one
SMILESO=C1NNC(CCc2ccc(-c3ccccc3)cc2)CC1O
InChIInChI=1S/C18H20N2O2/c21-17-12-16(19-20-18(17)22)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16-17,19,21H,8,11-12H2,(H,20,22)
InChIKeyLFBBBJWIFPMLLF-UHFFFAOYSA-N
XLogP2.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N'-ethyl-2-hydroxy-3-phenylpropanehydrazide
CID 1947583
6-[2-(2,4-Difluorophenyl)ethyl]-4-hydroxydiazinan-3-one
CID 122197922
6-[2-[4-(3,3-Difluoroprop-1-ynyl)phenyl]ethyl]-4-hydroxydiazinan-3-one
CID 122362658
6-[2-(3,4-Difluorophenyl)ethyl]-4-hydroxydiazinan-3-one
CID 124081240
4-Hydroxy-6-[2-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]diazinan-3-one
CID 124081244
4-Hydroxy-6-[2-(4-methylphenyl)ethyl]diazinan-3-one
CID 122197917
4-Hydroxy-6-[2-[4-(hydroxymethyl)phenyl]ethyl]diazinan-3-one
CID 122197918
4-Hydroxy-6-[2-[3-(hydroxymethyl)phenyl]ethyl]diazinan-3-one
CID 122197920
4-Hydroxy-6-[2-(3-methylphenyl)ethyl]diazinan-3-one
CID 122197921
4-Hydroxy-6-[2-(2-methylphenyl)ethyl]diazinan-3-one
CID 122197923
6-[2-(4-Tert-butylphenyl)ethyl]-4-hydroxydiazinan-3-one
CID 122197925
4-Hydroxy-6-(4-phenylbutyl)diazinan-3-one
CID 122197929

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one?
The IUPAC name of 4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one (CID 122197919) is 4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one.
What is the SMILES notation for 4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one?
The canonical SMILES for 4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one is O=C1NNC(CCc2ccc(-c3ccccc3)cc2)CC1O.
What is the InChIKey of 4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one?
The InChIKey is LFBBBJWIFPMLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17-12-16(19-20-18(17)22)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16-17,19,21H,8,11-12H2,(H,20,22).
What are the key properties of 4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one?
4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one has a molecular weight of 296.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[2-(4-phenylphenyl)ethyl]diazinan-3-one is sourced from PubChem (CID 122197919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).