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

Name: 2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₂₅NO₄ — CID 141111811

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one
PubChem CID	141111811
Molecular Formula	C₂₂H₂₅NO₄
Molecular Weight	367.45 g/mol
Exact Mass	367.18
IUPAC Name	2-[4-(diethylaminomethyl)phenyl]-6,7-dimethoxychromen-4-one
SMILES	CCN(CC)Cc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3o2)cc1
InChI	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
InChIKey	QAPQDRDPOUQKFL-UHFFFAOYSA-N
XLogP	4.32
TPSA	51.91 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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).

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Sources

PubChem CID 141111811 — identifiers, structure, computed properties (public domain)

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