[4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate

C20H19NO7 — CID 71483995

IUPAC[4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1
InChIInChI=1S/C20H19NO7/c1-4-21(2)20(25)27-12-7-5-11(6-8-12)15-9-13(22)17-16(28-15)10-14(23)19(26-3)18(17)24/h5-10,23-24H,4H2,1-3H3
InChIKeyZOHSETUMDBIDLZ-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.33
Rot. Bonds4

About [4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate

[4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate (PubChem CID 71483995) has the molecular formula C20H19NO7 and a molecular weight of 385.37 g/mol. Its IUPAC name is [4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate
PubChem CID71483995
Molecular FormulaC20H19NO7
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name[4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1
InChIInChI=1S/C20H19NO7/c1-4-21(2)20(25)27-12-7-5-11(6-8-12)15-9-13(22)17-16(28-15)10-14(23)19(26-3)18(17)24/h5-10,23-24H,4H2,1-3H3
InChIKeyZOHSETUMDBIDLZ-UHFFFAOYSA-N
XLogP3.33
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N,N-diethylcarbamate
CID 71483946
[4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] piperidine-1-carboxylate
CID 71483998
5,7-dihydroxy-6-methoxy-2-(4-methylsulfonylphenyl)chromen-4-one
CID 57405632
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one;(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 68743449
6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 162875618
5,7-dihydroxy-6-methoxy-2-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 163025590
ethane;6-ethoxy-5,7-dihydroxy-2-phenylchromen-4-one
CID 145053465
[4-(5-hydroxy-4-oxo-7-propanoyloxychromen-2-yl)phenyl] propanoate
CID 146662894
[4-(6-acetyloxy-5,7-dihydroxy-4-oxochromen-2-yl)phenyl] morpholine-4-carboxylate
CID 71483702
[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 24993131
2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 57405805
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057

Frequently Asked Questions

What is the IUPAC name of [4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate?
The IUPAC name of [4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate (CID 71483995) is [4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate is CCN(C)C(=O)Oc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1.
What is the InChIKey of [4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate?
The InChIKey is ZOHSETUMDBIDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO7/c1-4-21(2)20(25)27-12-7-5-11(6-8-12)15-9-13(22)17-16(28-15)10-14(23)19(26-3)18(17)24/h5-10,23-24H,4H2,1-3H3.
What are the key properties of [4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate?
[4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate has a molecular weight of 385.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 71483995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).