3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one

C14H14O5 — CID 10934262

IUPAC3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one
SMILESCOC1(OC)CC2Oc3ccccc3C(=O)C2=CO1
InChIInChI=1S/C14H14O5/c1-16-14(17-2)7-12-10(8-18-14)13(15)9-5-3-4-6-11(9)19-12/h3-6,8,12H,7H2,1-2H3
InChIKeyPXZRZDONSXXMOT-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.88
Rot. Bonds2

About 3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one

3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one (PubChem CID 10934262) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one.

Molecular Properties

Compound Name3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one
PubChem CID10934262
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one
SMILESCOC1(OC)CC2Oc3ccccc3C(=O)C2=CO1
InChIInChI=1S/C14H14O5/c1-16-14(17-2)7-12-10(8-18-14)13(15)9-5-3-4-6-11(9)19-12/h3-6,8,12H,7H2,1-2H3
InChIKeyPXZRZDONSXXMOT-UHFFFAOYSA-N
XLogP1.88
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one
CID 10096336
(4S,4'aS,5S)-4,5-dibenzylspiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one
CID 10343180
(2S)-2-(4-methoxyphenyl)chromene-3,4-dione
CID 129410506
1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one
CID 131844443
2-(2-methoxyethyl)-1-benzofuran-3-one
CID 155166560
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
2-[(3Z)-3-(methoxymethylidene)-4-oxochromen-2-yl]acetaldehyde
CID 162413713
methyl 1-methoxy-1-methyl-8-oxo-2,2a-dihydrocyclobuta[b]chromene-8a-carboxylate
CID 102113273
(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one
CID 70503591
3a-methyl-1,2,3,10a-tetrahydrocyclopenta[b][1]benzoxepine-4,5-dione
CID 10489622
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
(2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 95987150

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one?
The IUPAC name of 3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one (CID 10934262) is 3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one.
What is the SMILES notation for 3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one?
The canonical SMILES for 3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one is COC1(OC)CC2Oc3ccccc3C(=O)C2=CO1.
What is the InChIKey of 3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one?
The InChIKey is PXZRZDONSXXMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-16-14(17-2)7-12-10(8-18-14)13(15)9-5-3-4-6-11(9)19-12/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one?
3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one has a molecular weight of 262.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one is sourced from PubChem (CID 10934262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).