13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione

C16H14O4 — CID 5314107

IUPAC13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione
SMILESCOC1=CC(=O)C2C3Oc4ccccc4CC3C2C1=O
InChIInChI=1S/C16H14O4/c1-19-12-7-10(17)14-13(15(12)18)9-6-8-4-2-3-5-11(8)20-16(9)14/h2-5,7,9,13-14,16H,6H2,1H3
InChIKeySRXPNCRZUAJXRR-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.53
Rot. Bonds1

About 13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione

13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione (PubChem CID 5314107) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione.

Molecular Properties

Compound Name13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione
PubChem CID5314107
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione
SMILESCOC1=CC(=O)C2C3Oc4ccccc4CC3C2C1=O
InChIInChI=1S/C16H14O4/c1-19-12-7-10(17)14-13(15(12)18)9-6-8-4-2-3-5-11(8)20-16(9)14/h2-5,7,9,13-14,16H,6H2,1H3
InChIKeySRXPNCRZUAJXRR-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione with MolForge

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Related Compounds

(1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione
CID 10083645
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 132502479
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
14-ethenyl-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene
CID 162740070
3-fluoro-2-(oxiran-2-yl)-3,4-dihydro-2H-chromene
CID 87716136
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
2-(2,3-dihydro-1-benzofuran-2-yloxy)-2,3-dihydro-1-benzofuran
CID 141494983
(3aR,9aS)-2-methyl-9,9a-dihydro-3aH-chromeno[2,3-c]pyrrole-1,3-dione
CID 101393758
(2S,3R)-3-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 163392607
(4aS,9aS)-2,3,4,4a,9,9a-hexahydro-1H-xanthene
CID 101459378
(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane
CID 90989077

Frequently Asked Questions

What is the IUPAC name of 13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione?
The IUPAC name of 13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione (CID 5314107) is 13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione.
What is the SMILES notation for 13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione?
The canonical SMILES for 13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione is COC1=CC(=O)C2C3Oc4ccccc4CC3C2C1=O.
What is the InChIKey of 13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione?
The InChIKey is SRXPNCRZUAJXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-12-7-10(17)14-13(15(12)18)9-6-8-4-2-3-5-11(8)20-16(9)14/h2-5,7,9,13-14,16H,6H2,1H3.
What are the key properties of 13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione?
13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione has a molecular weight of 270.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione is sourced from PubChem (CID 5314107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).