2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one

C15H12O6 — CID 10108140

IUPAC2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one
SMILESCOc1cc(O)c2c(O)c3c(cc2c1)C1OC1(C)OC3=O
InChIInChI=1S/C15H12O6/c1-15-13(20-15)8-4-6-3-7(19-2)5-9(16)10(6)12(17)11(8)14(18)21-15/h3-5,13,16-17H,1-2H3
InChIKeyRDBSYBKFEBNIFQ-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.22
Rot. Bonds1

About 2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one

2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one (PubChem CID 10108140) has the molecular formula C15H12O6 and a molecular weight of 288.25 g/mol. Its IUPAC name is 2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one.

Molecular Properties

Compound Name2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one
PubChem CID10108140
Molecular FormulaC15H12O6
Molecular Weight288.25 g/mol
Exact Mass288.06
IUPAC Name2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one
SMILESCOc1cc(O)c2c(O)c3c(cc2c1)C1OC1(C)OC3=O
InChIInChI=1S/C15H12O6/c1-15-13(20-15)8-4-6-3-7(19-2)5-9(16)10(6)12(17)11(8)14(18)21-15/h3-5,13,16-17H,1-2H3
InChIKeyRDBSYBKFEBNIFQ-UHFFFAOYSA-N
XLogP2.22
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one with MolForge

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Related Compounds

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(2S,4S)-2,4,9-trihydroxy-6-methoxy-8-methyl-3,4-dihydro-2H-anthracen-1-one
CID 139590311
8-hydroxy-6-methoxy-3-(3-oxobutan-2-yl)isochromen-1-one
CID 20609319
8-hydroxy-3-[(2S)-2-hydroxy-4-oxopentyl]-6-methoxyisochromen-1-one
CID 45359353
(3S,4S)-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
CID 93061334
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CID 139606258
(13R,23S)-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.02,11.04,9.018,27.020,25]nonacosa-1(17),2,4,6,8,10,18,20(25),26,28-decaene-15,21-dione
CID 100998241
3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid
CID 621352
3,4,8,9-tetrahydroxy-6-methoxy-3-methyl-7-(1,5,6,9-tetrahydroxy-3-methoxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl)-2,4-dihydroanthracen-1-one
CID 102147506
4,5-dihydroxy-7-methoxychromen-2-one
CID 82371903

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one?
The IUPAC name of 2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one (CID 10108140) is 2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one.
What is the SMILES notation for 2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one?
The canonical SMILES for 2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one is COc1cc(O)c2c(O)c3c(cc2c1)C1OC1(C)OC3=O.
What is the InChIKey of 2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one?
The InChIKey is RDBSYBKFEBNIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O6/c1-15-13(20-15)8-4-6-3-7(19-2)5-9(16)10(6)12(17)11(8)14(18)21-15/h3-5,13,16-17H,1-2H3.
What are the key properties of 2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one?
2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one has a molecular weight of 288.25 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-6-methoxy-13-methyl-12,14-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1,3,5,7,9-pentaen-15-one is sourced from PubChem (CID 10108140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).