5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione

C16H12O3 — CID 85139008

IUPAC5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione
SMILESCOc1cccc2c1C(=O)C1=C(C2=O)C2C=CC1C2
InChIInChI=1S/C16H12O3/c1-19-11-4-2-3-10-14(11)16(18)13-9-6-5-8(7-9)12(13)15(10)17/h2-6,8-9H,7H2,1H3
InChIKeyDHCMNMXBQYYIPD-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.58
Rot. Bonds1

About 5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione

5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione (PubChem CID 85139008) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione.

Molecular Properties

Compound Name5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione
PubChem CID85139008
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione
SMILESCOc1cccc2c1C(=O)C1=C(C2=O)C2C=CC1C2
InChIInChI=1S/C16H12O3/c1-19-11-4-2-3-10-14(11)16(18)13-9-6-5-8(7-9)12(13)15(10)17/h2-6,8-9H,7H2,1H3
InChIKeyDHCMNMXBQYYIPD-UHFFFAOYSA-N
XLogP2.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethoxyfluoren-9-one
CID 19594782
5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione
CID 633617
(3S)-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
CID 102140355
dimethyl 5-methoxy-1,4-dioxonaphthalene-2,3-dicarboxylate
CID 10470278
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
1-(2-hydroxyethoxy)-5-methoxyanthracene-9,10-dione
CID 90269328
(2S,3S)-3-hydroxy-5-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
CID 162938161
11-methoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
CID 10565565
6,11-dihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione;ethane
CID 123863601
2-bromo-3-(dimethylamino)-5-methoxynaphthalene-1,4-dione
CID 10425468
1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione
CID 11300971
methyl 2-[(1R,3R)-6-methoxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
CID 10088004

Frequently Asked Questions

What is the IUPAC name of 5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione?
The IUPAC name of 5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione (CID 85139008) is 5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione.
What is the SMILES notation for 5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione?
The canonical SMILES for 5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione is COc1cccc2c1C(=O)C1=C(C2=O)C2C=CC1C2.
What is the InChIKey of 5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione?
The InChIKey is DHCMNMXBQYYIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-19-11-4-2-3-10-14(11)16(18)13-9-6-5-8(7-9)12(13)15(10)17/h2-6,8-9H,7H2,1H3.
What are the key properties of 5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione?
5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione has a molecular weight of 252.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-2(11),4(9),5,7,13-pentaene-3,10-dione is sourced from PubChem (CID 85139008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).