8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride

C20H22ClNO3 — CID 24746917

IUPAC8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride
SMILESCCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12.Cl
InChIInChI=1S/C20H21NO3.ClH/c1-3-21(4-2)12-16-18(22)11-10-15-19(23)17(13-24-20(15)16)14-8-6-5-7-9-14;/h5-11,13,22H,3-4,12H2,1-2H3;1H
InChIKeyBPKQTTDKJOKFGI-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.43
Rot. Bonds5

About 8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride

8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride (PubChem CID 24746917) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride.

Molecular Properties

Compound Name8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride
PubChem CID24746917
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride
SMILESCCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12.Cl
InChIInChI=1S/C20H21NO3.ClH/c1-3-21(4-2)12-16-18(22)11-10-15-19(23)17(13-24-20(15)16)14-8-6-5-7-9-14;/h5-11,13,22H,3-4,12H2,1-2H3;1H
InChIKeyBPKQTTDKJOKFGI-UHFFFAOYSA-N
XLogP4.43
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

CID 3078
CID 3078
CID 5746354
CID 5746354
CID 5281797
CID 5281797
CID 5281789
CID 5281789
CID 5317480
CID 5317480
CID 5281814
CID 5281814
CID 5317478
CID 5317478
CID 10001388
CID 10001388
CID 65687
CID 65687
CID 5494866
CID 5494866
CID 637048
CID 637048
CID 5320053
CID 5320053

Frequently Asked Questions

What is the IUPAC name of 8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride?
The IUPAC name of 8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride (CID 24746917) is 8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride.
What is the SMILES notation for 8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride?
The canonical SMILES for 8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride is CCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12.Cl.
What is the InChIKey of 8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride?
The InChIKey is BPKQTTDKJOKFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3.ClH/c1-3-21(4-2)12-16-18(22)11-10-15-19(23)17(13-24-20(15)16)14-8-6-5-7-9-14;/h5-11,13,22H,3-4,12H2,1-2H3;1H.
What are the key properties of 8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride?
8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride has a molecular weight of 359.85 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride is sourced from PubChem (CID 24746917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).