7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol

C20H14O6 — CID 101286257

IUPAC7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol
SMILESCOc1ccc2c(c1)oc1c(O)c3oc4cc(OC)ccc4c3c(O)c12
InChIInChI=1S/C20H14O6/c1-23-9-3-5-11-13(7-9)25-19-15(11)17(21)16-12-6-4-10(24-2)8-14(12)26-20(16)18(19)22/h3-8,21-22H,1-2H3
InChIKeyPUGIMQSQNACVOD-UHFFFAOYSA-N
MW350.33 g/mol
LogP4.91
Rot. Bonds2

About 7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol

7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol (PubChem CID 101286257) has the molecular formula C20H14O6 and a molecular weight of 350.33 g/mol. Its IUPAC name is 7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol.

Molecular Properties

Compound Name7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol
PubChem CID101286257
Molecular FormulaC20H14O6
Molecular Weight350.33 g/mol
Exact Mass350.08
IUPAC Name7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol
SMILESCOc1ccc2c(c1)oc1c(O)c3oc4cc(OC)ccc4c3c(O)c12
InChIInChI=1S/C20H14O6/c1-23-9-3-5-11-13(7-9)25-19-15(11)17(21)16-12-6-4-10(24-2)8-14(12)26-20(16)18(19)22/h3-8,21-22H,1-2H3
InChIKeyPUGIMQSQNACVOD-UHFFFAOYSA-N
XLogP4.91
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol with MolForge

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Related Compounds

7-methoxy-2,12,17-trimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
CID 144582480
9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 131750884
3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde
CID 135980369
3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
CID 54725263
3,9-dimethoxy-5-methyl-[1]benzofuro[3,2-c]quinolin-6-one
CID 2794540
9-methoxy-6-phenylnaphtho[2,1-b][1]benzofuran
CID 155128175
1,2,4-trihydroxy-9-methoxybenzo[c]chromen-6-one
CID 171936005
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 10807373
4-hydroxy-3-(4-iodophenoxy)-7-methoxychromen-2-one
CID 54678677
3-(dihydroxyamino)-7-methoxy-2-oxochromen-4-olate
CID 163151689
3-chloro-6-methoxy-2H-[1]benzofuro[3,2-c]pyrazole
CID 25194738
1,4-dihydroxy-7-methoxyxanthen-9-one
CID 15819467

Frequently Asked Questions

What is the IUPAC name of 7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol?
The IUPAC name of 7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol (CID 101286257) is 7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol.
What is the SMILES notation for 7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol?
The canonical SMILES for 7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol is COc1ccc2c(c1)oc1c(O)c3oc4cc(OC)ccc4c3c(O)c12.
What is the InChIKey of 7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol?
The InChIKey is PUGIMQSQNACVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O6/c1-23-9-3-5-11-13(7-9)25-19-15(11)17(21)16-12-6-4-10(24-2)8-14(12)26-20(16)18(19)22/h3-8,21-22H,1-2H3.
What are the key properties of 7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol?
7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol has a molecular weight of 350.33 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,17-dimethoxy-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-2,12-diol is sourced from PubChem (CID 101286257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).