7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one

C18H17NO3 — CID 10780206

IUPAC7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one
SMILESCc1c(C)c2ccc(OCc3cccc(N)c3)cc2oc1=O
InChIInChI=1S/C18H17NO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10,19H2,1-2H3
InChIKeyWKMBYPRUDNQPPA-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.57
Rot. Bonds3

About 7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one

7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one (PubChem CID 10780206) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one.

Molecular Properties

Compound Name7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one
PubChem CID10780206
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one
SMILESCc1c(C)c2ccc(OCc3cccc(N)c3)cc2oc1=O
InChIInChI=1S/C18H17NO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10,19H2,1-2H3
InChIKeyWKMBYPRUDNQPPA-UHFFFAOYSA-N
XLogP3.57
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one 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 7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one?
The IUPAC name of 7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one (CID 10780206) is 7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one.
What is the SMILES notation for 7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one?
The canonical SMILES for 7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one is Cc1c(C)c2ccc(OCc3cccc(N)c3)cc2oc1=O.
What is the InChIKey of 7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one?
The InChIKey is WKMBYPRUDNQPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10,19H2,1-2H3.
What are the key properties of 7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one?
7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one has a molecular weight of 295.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-aminophenyl)methoxy]-3,4-dimethylchromen-2-one is sourced from PubChem (CID 10780206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).