7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride

Name: 7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₁₄ClNO₄ — CID 139885751

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

IUPAC7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride

SMILESO=C(c1ccc[nH+]c1)c1coc2cc(Oc3ccccc3)ccc2c1=O.[Cl-]

InChIInChI=1S/C21H13NO4.ClH/c23-20(14-5-4-10-22-12-14)18-13-25-19-11-16(8-9-17(19)21(18)24)26-15-6-2-1-3-7-15;/h1-13H;1H

InChIKeyQAXPNKAQHFHAOD-UHFFFAOYSA-N

MW379.80 g/mol

LogP0.63

Rot. Bonds4

About 7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride

7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride (PubChem CID 139885751) has the molecular formula C₂₁H₁₄ClNO₄ and a molecular weight of 379.80 g/mol. Its IUPAC name is 7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride.

Molecular Properties

Compound Name	7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride
PubChem CID	139885751
Molecular Formula	C₂₁H₁₄ClNO₄
Molecular Weight	379.80 g/mol
Exact Mass	379.06
IUPAC Name	7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride
SMILES	O=C(c1ccc[nH+]c1)c1coc2cc(Oc3ccccc3)ccc2c1=O.[Cl-]
InChI	InChI=1S/C21H13NO4.ClH/c23-20(14-5-4-10-22-12-14)18-13-25-19-11-16(8-9-17(19)21(18)24)26-15-6-2-1-3-7-15;/h1-13H;1H
InChIKey	QAXPNKAQHFHAOD-UHFFFAOYSA-N
XLogP	0.63
TPSA	70.65 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.80
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride?

The IUPAC name of 7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride (CID 139885751) is 7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride.

What is the SMILES notation for 7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride?

The canonical SMILES for 7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride is O=C(c1ccc[nH+]c1)c1coc2cc(Oc3ccccc3)ccc2c1=O.[Cl-].

What is the InChIKey of 7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride?

The InChIKey is QAXPNKAQHFHAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO4.ClH/c23-20(14-5-4-10-22-12-14)18-13-25-19-11-16(8-9-17(19)21(18)24)26-15-6-2-1-3-7-15;/h1-13H;1H.

What are the key properties of 7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride?

7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride has a molecular weight of 379.80 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-phenoxy-3-(pyridin-1-ium-3-carbonyl)chromen-4-one chloride is sourced from PubChem (CID 139885751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139885751 — identifiers, structure, computed properties (public domain)

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