2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one

C22H25NO4 — CID 141111811

IUPAC2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one
SMILESCCN(CC)Cc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3o2)cc1
InChIInChI=1S/C22H25NO4/c1-5-23(6-2)14-15-7-9-16(10-8-15)19-12-18(24)17-11-21(25-3)22(26-4)13-20(17)27-19/h7-13H,5-6,14H2,1-4H3
InChIKeyQAPQDRDPOUQKFL-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.32
Rot. Bonds7

About 2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one

2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one (PubChem CID 141111811) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one
PubChem CID141111811
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one
SMILESCCN(CC)Cc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3o2)cc1
InChIInChI=1S/C22H25NO4/c1-5-23(6-2)14-15-7-9-16(10-8-15)19-12-18(24)17-11-21(25-3)22(26-4)13-20(17)27-19/h7-13H,5-6,14H2,1-4H3
InChIKeyQAPQDRDPOUQKFL-UHFFFAOYSA-N
XLogP4.32
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one?
The IUPAC name of 2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one (CID 141111811) is 2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one?
The canonical SMILES for 2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one is CCN(CC)Cc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3o2)cc1.
What is the InChIKey of 2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one?
The InChIKey is QAPQDRDPOUQKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-5-23(6-2)14-15-7-9-16(10-8-15)19-12-18(24)17-11-21(25-3)22(26-4)13-20(17)27-19/h7-13H,5-6,14H2,1-4H3.
What are the key properties of 2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one?
2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one has a molecular weight of 367.45 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one is sourced from PubChem (CID 141111811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).