4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol

C23H25N3O2 — CID 126565118

IUPAC4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol
SMILESCC(C)=CCCC1(C)C=Cc2c(N=[N+]=[N-])c(-c3ccc(O)cc3)cc(C)c2O1
InChIInChI=1S/C23H25N3O2/c1-15(2)6-5-12-23(4)13-11-19-21(25-26-24)20(14-16(3)22(19)28-23)17-7-9-18(27)10-8-17/h6-11,13-14,27H,5,12H2,1-4H3
InChIKeyJBUOEVUJBZYTIS-UHFFFAOYSA-N
MW375.47 g/mol
LogP7.22
Rot. Bonds5

About 4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol

4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol (PubChem CID 126565118) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol.

Molecular Properties

Compound Name4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol
PubChem CID126565118
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol
SMILESCC(C)=CCCC1(C)C=Cc2c(N=[N+]=[N-])c(-c3ccc(O)cc3)cc(C)c2O1
InChIInChI=1S/C23H25N3O2/c1-15(2)6-5-12-23(4)13-11-19-21(25-26-24)20(14-16(3)22(19)28-23)17-7-9-18(27)10-8-17/h6-11,13-14,27H,5,12H2,1-4H3
InChIKeyJBUOEVUJBZYTIS-UHFFFAOYSA-N
XLogP7.22
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol?
The IUPAC name of 4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol (CID 126565118) is 4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol.
What is the SMILES notation for 4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol?
The canonical SMILES for 4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol is CC(C)=CCCC1(C)C=Cc2c(N=[N+]=[N-])c(-c3ccc(O)cc3)cc(C)c2O1.
What is the InChIKey of 4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol?
The InChIKey is JBUOEVUJBZYTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(2)6-5-12-23(4)13-11-19-21(25-26-24)20(14-16(3)22(19)28-23)17-7-9-18(27)10-8-17/h6-11,13-14,27H,5,12H2,1-4H3.
What are the key properties of 4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol?
4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol has a molecular weight of 375.47 g/mol, XLogP of 7.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-azido-2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-yl]phenol is sourced from PubChem (CID 126565118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).