4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one

C11H14N2O2 — CID 105458768

IUPAC4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one
SMILESCC1(c2ccc(O)cc2)CCNC(=O)N1
InChIInChI=1S/C11H14N2O2/c1-11(6-7-12-10(15)13-11)8-2-4-9(14)5-3-8/h2-5,14H,6-7H2,1H3,(H2,12,13,15)
InChIKeyNAWOJJKCVIKMPK-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.31
Rot. Bonds1

About 4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one

4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one (PubChem CID 105458768) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one
PubChem CID105458768
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one
SMILESCC1(c2ccc(O)cc2)CCNC(=O)N1
InChIInChI=1S/C11H14N2O2/c1-11(6-7-12-10(15)13-11)8-2-4-9(14)5-3-8/h2-5,14H,6-7H2,1H3,(H2,12,13,15)
InChIKeyNAWOJJKCVIKMPK-UHFFFAOYSA-N
XLogP1.31
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-4-(4-methylphenyl)imidazolidin-2-one
CID 105444277
4-(2-methylpyrrolidin-2-yl)phenol
CID 82599572
2-(4-methyl-2-oxo-1,3-diazinan-4-yl)benzoic acid
CID 105494131
4-(4-methoxyphenyl)-4-methylimidazolidin-2-one
CID 105458751
4-(2-methylazepan-2-yl)phenol
CID 115059442
4-(4-hydroxy-3,5-dimethylphenyl)-4-methylimidazolidin-2-one
CID 90753386
4,4-diphenyl-1,3-diazinan-2-one
CID 23879283
4-methyl-4-propan-2-yl-1,3-diazinan-2-one
CID 105430538
5-(4-hydroxyphenyl)-1,5-dimethyl-1,3-diazinan-2-one
CID 105475789
5-(4-hydroxyphenyl)-5-methylpyrrolidin-3-ol
CID 115019379
4-methyl-4-phenyl-1,3-oxazinan-2-one
CID 105444856
4-(4-tert-butylphenyl)-4-methylazetidin-2-one
CID 64665350

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one?
The IUPAC name of 4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one (CID 105458768) is 4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one is CC1(c2ccc(O)cc2)CCNC(=O)N1.
What is the InChIKey of 4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one?
The InChIKey is NAWOJJKCVIKMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(6-7-12-10(15)13-11)8-2-4-9(14)5-3-8/h2-5,14H,6-7H2,1H3,(H2,12,13,15).
What are the key properties of 4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one?
4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-4-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 105458768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).