(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium

C20H22NO3+ — CID 9264124

IUPAC(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium
SMILESCc1c(O)ccc2c(C[NH2+]C[C@H](C)c3ccccc3)cc(=O)oc12
InChIInChI=1S/C20H21NO3/c1-13(15-6-4-3-5-7-15)11-21-12-16-10-19(23)24-20-14(2)18(22)9-8-17(16)20/h3-10,13,21-22H,11-12H2,1-2H3/p+1/t13-/m0/s1
InChIKeyAYOZGRVPFAGVLD-ZDUSSCGKSA-O
MW324.40 g/mol
LogP2.67
Rot. Bonds5

About (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium

(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium (PubChem CID 9264124) has the molecular formula C20H22NO3+ and a molecular weight of 324.40 g/mol. Its IUPAC name is (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium.

Molecular Properties

Compound Name(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium
PubChem CID9264124
Molecular FormulaC20H22NO3+
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium
SMILESCc1c(O)ccc2c(C[NH2+]C[C@H](C)c3ccccc3)cc(=O)oc12
InChIInChI=1S/C20H21NO3/c1-13(15-6-4-3-5-7-15)11-21-12-16-10-19(23)24-20-14(2)18(22)9-8-17(16)20/h3-10,13,21-22H,11-12H2,1-2H3/p+1/t13-/m0/s1
InChIKeyAYOZGRVPFAGVLD-ZDUSSCGKSA-O
XLogP2.67
TPSA67.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051499
[(1S)-2-[(7,8-dimethyl-2-oxochromen-4-yl)methylazaniumyl]-1-phenylethyl]-dimethylazanium
CID 9256720
7-hydroxy-8-methyl-4-[(2-methylphenyl)sulfanylmethyl]chromen-2-one
CID 52728159
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl (2S)-2-phenylbutanoate
CID 8753834
[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium
CID 8992565
N-[3-[1-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]ethyl]phenyl]benzamide
CID 46688183
4-[[1-(1-benzofuran-2-yl)ethyl-methylamino]methyl]-7-hydroxy-8-methylchromen-2-one
CID 46551841
(4-hydroxycyclohexyl)-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium
CID 9265670
7-hydroxy-8-methyl-4-[[methyl-[1-(3-nitrophenyl)ethyl]amino]methyl]chromen-2-one
CID 46601376
2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione
CID 18421403
7-hydroxy-8-methyl-4-propan-2-ylchromen-2-one
CID 76852877
4-hydroxy-8-methyl-7-(1-phenylethoxy)chromen-2-one
CID 54719972

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium?
The IUPAC name of (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium (CID 9264124) is (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium.
What is the SMILES notation for (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium?
The canonical SMILES for (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium is Cc1c(O)ccc2c(C[NH2+]C[C@H](C)c3ccccc3)cc(=O)oc12.
What is the InChIKey of (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium?
The InChIKey is AYOZGRVPFAGVLD-ZDUSSCGKSA-O. The full InChI is InChI=1S/C20H21NO3/c1-13(15-6-4-3-5-7-15)11-21-12-16-10-19(23)24-20-14(2)18(22)9-8-17(16)20/h3-10,13,21-22H,11-12H2,1-2H3/p+1/t13-/m0/s1.
What are the key properties of (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium?
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium has a molecular weight of 324.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium is sourced from PubChem (CID 9264124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).