3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione

C16H11NO3 — CID 142659308

IUPAC3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione
SMILESNc1c(-c2ccccc2Oc2ccccc2)c(=O)c1=O
InChIInChI=1S/C16H11NO3/c17-14-13(15(18)16(14)19)11-8-4-5-9-12(11)20-10-6-2-1-3-7-10/h1-9H,17H2
InChIKeySFWPMIHRYNRUCG-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.32
Rot. Bonds3

About 3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione

3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione (PubChem CID 142659308) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione
PubChem CID142659308
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione
SMILESNc1c(-c2ccccc2Oc2ccccc2)c(=O)c1=O
InChIInChI=1S/C16H11NO3/c17-14-13(15(18)16(14)19)11-8-4-5-9-12(11)20-10-6-2-1-3-7-10/h1-9H,17H2
InChIKeySFWPMIHRYNRUCG-UHFFFAOYSA-N
XLogP2.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-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

3-amino-4-(4-chloro-2-pyridin-3-yloxyphenyl)cyclobut-3-ene-1,2-dione
CID 142659371
3-amino-4-[2-(3-bromophenoxy)-4-chlorophenyl]cyclobut-3-ene-1,2-dione
CID 142659283
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
2,5-diphenoxybenzene-1,4-diamine
CID 139696987
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
6-(2-phenoxyphenyl)pyridin-3-amine
CID 68649369
3-[2-(3-amino-2-phenoxyphenyl)-3-phenoxyphenyl]-2-phenoxyaniline
CID 21260889
2-(2-phenoxyphenyl)-6-phenylbenzenethiol
CID 19734018
4-[2-[2-[2-(4-aminophenoxy)phenyl]-3-phosphorosophenyl]phenoxy]aniline
CID 67859357
3-methyl-4-(2-phenoxyphenyl)pyrrole-2,5-dione
CID 68742063
6-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 166389025
3,6-dimethyl-1-(2-phenoxyphenyl)-2,5,6,7-tetrahydroisoindol-4-one
CID 71812088

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione (CID 142659308) is 3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione is Nc1c(-c2ccccc2Oc2ccccc2)c(=O)c1=O.
What is the InChIKey of 3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione?
The InChIKey is SFWPMIHRYNRUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c17-14-13(15(18)16(14)19)11-8-4-5-9-12(11)20-10-6-2-1-3-7-10/h1-9H,17H2.
What are the key properties of 3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione?
3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione has a molecular weight of 265.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-phenoxyphenyl)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 142659308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).