10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one

C20H27NO5 — CID 23621215

IUPAC10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
SMILESCCN(CC)CCOC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
InChIInChI=1S/C20H27NO5/c1-5-21(6-2)11-12-24-18-16-14(26-20(3,4)19(18)23)9-7-13-8-10-15(22)25-17(13)16/h7-10,18-19,23H,5-6,11-12H2,1-4H3
InChIKeyFPQVVZRCAYLJHS-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.72
Rot. Bonds6

About 10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one

10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one (PubChem CID 23621215) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is 10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one.

Molecular Properties

Compound Name10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
PubChem CID23621215
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Name10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
SMILESCCN(CC)CCOC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O
InChIInChI=1S/C20H27NO5/c1-5-21(6-2)11-12-24-18-16-14(26-20(3,4)19(18)23)9-7-13-8-10-15(22)25-17(13)16/h7-10,18-19,23H,5-6,11-12H2,1-4H3
InChIKeyFPQVVZRCAYLJHS-UHFFFAOYSA-N
XLogP2.72
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(9R,10S)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (2S)-2-methylbutanoate
CID 162978729
(9R,10R)-9,10-dimethoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
CID 59973745
[(9R,10S)-8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate
CID 1119130
[(9S,10S)-8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate
CID 10342527
[8,8-dimethyl-9-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
CID 154831639
[(9S,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate
CID 38347612
[(9S,10S)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 2-methylbut-2-enoate
CID 162971142
[(9S,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate
CID 1032882
(10R)-10-hydroxy-8,8-dimethyl-10H-pyrano[2,3-f]chromene-2,9-dione
CID 163062968
(10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) decanoate
CID 73072231
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate
CID 162952553
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate
CID 162952554

Frequently Asked Questions

What is the IUPAC name of 10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one?
The IUPAC name of 10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one (CID 23621215) is 10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one.
What is the SMILES notation for 10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one?
The canonical SMILES for 10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one is CCN(CC)CCOC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1O.
What is the InChIKey of 10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one?
The InChIKey is FPQVVZRCAYLJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5/c1-5-21(6-2)11-12-24-18-16-14(26-20(3,4)19(18)23)9-7-13-8-10-15(22)25-17(13)16/h7-10,18-19,23H,5-6,11-12H2,1-4H3.
What are the key properties of 10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one?
10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one has a molecular weight of 361.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(diethylamino)ethoxy]-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one is sourced from PubChem (CID 23621215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).