1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione

C16H14N2O4 — CID 146597366

IUPAC1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(Oc3cccc(O)c3)cc2)C(=O)N1
InChIInChI=1S/C16H14N2O4/c19-12-2-1-3-14(10-12)22-13-6-4-11(5-7-13)18-9-8-15(20)17-16(18)21/h1-7,10,19H,8-9H2,(H,17,20,21)
InChIKeyFBZQRDPDZGDKLC-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.63
Rot. Bonds3

About 1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione

1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 146597366) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione
PubChem CID146597366
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(Oc3cccc(O)c3)cc2)C(=O)N1
InChIInChI=1S/C16H14N2O4/c19-12-2-1-3-14(10-12)22-13-6-4-11(5-7-13)18-9-8-15(20)17-16(18)21/h1-7,10,19H,8-9H2,(H,17,20,21)
InChIKeyFBZQRDPDZGDKLC-UHFFFAOYSA-N
XLogP2.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-fluorophenoxy)phenyl]-1,3-diazinane-2,4-dione
CID 162507635
1-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]-1,3-diazinane-2,4-dione
CID 162507471
1-[3-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-1,4-dioxonaphthalen-2-yl]oxyphenyl]-1,3-diazinane-2,4-dione
CID 53364156
1-(3-fluoro-4-phenoxyphenyl)-1,3-diazinane-2,4-dione
CID 162507506
1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione
CID 142487374
1-(4-iodophenyl)-1,3-diazinane-2,4-dione
CID 73172247
4-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
CID 23023749
4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid
CID 10426260
1-[4-(2-hydroxyethyl)phenyl]-1,3-diazinane-2,4-dione
CID 166947284
1-(4-methyliodanuidylphenyl)-1,3-diazinane-2,4-dione
CID 156707562
1-(2-hydroxyphenyl)-1,3-diazinane-2,4-dione
CID 15060157
1-(4-phenoxyphenyl)pyrazolidin-3-one
CID 131842540

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione (CID 146597366) is 1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc(Oc3cccc(O)c3)cc2)C(=O)N1.
What is the InChIKey of 1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is FBZQRDPDZGDKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-12-2-1-3-14(10-12)22-13-6-4-11(5-7-13)18-9-8-15(20)17-16(18)21/h1-7,10,19H,8-9H2,(H,17,20,21).
What are the key properties of 1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione?
1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 298.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxyphenoxy)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 146597366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).