3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one

C22H25NO4 — CID 10384334

IUPAC3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one
SMILESCOc1c(-c2ccccc2)oc2cc(OCCCNC(C)C)ccc2c1=O
InChIInChI=1S/C22H25NO4/c1-15(2)23-12-7-13-26-17-10-11-18-19(14-17)27-21(22(25-3)20(18)24)16-8-5-4-6-9-16/h4-6,8-11,14-15,23H,7,12-13H2,1-3H3
InChIKeyASQSECFDIIJRJE-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.24
Rot. Bonds8

About 3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one

3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one (PubChem CID 10384334) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one.

Molecular Properties

Compound Name3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one
PubChem CID10384334
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one
SMILESCOc1c(-c2ccccc2)oc2cc(OCCCNC(C)C)ccc2c1=O
InChIInChI=1S/C22H25NO4/c1-15(2)23-12-7-13-26-17-10-11-18-19(14-17)27-21(22(25-3)20(18)24)16-8-5-4-6-9-16/h4-6,8-11,14-15,23H,7,12-13H2,1-3H3
InChIKeyASQSECFDIIJRJE-UHFFFAOYSA-N
XLogP4.24
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one?
The IUPAC name of 3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one (CID 10384334) is 3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one.
What is the SMILES notation for 3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one?
The canonical SMILES for 3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one is COc1c(-c2ccccc2)oc2cc(OCCCNC(C)C)ccc2c1=O.
What is the InChIKey of 3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one?
The InChIKey is ASQSECFDIIJRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-15(2)23-12-7-13-26-17-10-11-18-19(14-17)27-21(22(25-3)20(18)24)16-8-5-4-6-9-16/h4-6,8-11,14-15,23H,7,12-13H2,1-3H3.
What are the key properties of 3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one?
3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one has a molecular weight of 367.45 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one is sourced from PubChem (CID 10384334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).