(8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one

C19H14O6 — CID 680082

IUPAC(8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
SMILESCOc1cccc([C@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)c1
InChIInChI=1S/C19H14O6/c1-21-11-4-2-3-10(5-11)17-12-6-14-15(24-9-23-14)7-13(12)25-16-8-22-19(20)18(16)17/h2-7,17H,8-9H2,1H3/t17-/m1/s1
InChIKeyAIQJGIGDRIXKNJ-QGZVFWFLSA-N
MW338.32 g/mol
LogP2.76
Rot. Bonds2

About (8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one

(8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one (PubChem CID 680082) has the molecular formula C19H14O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is (8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one.

Molecular Properties

Compound Name(8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
PubChem CID680082
Molecular FormulaC19H14O6
Molecular Weight338.32 g/mol
Exact Mass338.08
IUPAC Name(8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
SMILESCOc1cccc([C@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)c1
InChIInChI=1S/C19H14O6/c1-21-11-4-2-3-10(5-11)17-12-6-14-15(24-9-23-14)7-13(12)25-16-8-22-19(20)18(16)17/h2-7,17H,8-9H2,1H3/t17-/m1/s1
InChIKeyAIQJGIGDRIXKNJ-QGZVFWFLSA-N
XLogP2.76
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one with MolForge

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Related Compounds

(8S)-8-(3-methoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 92846178
8-(3-bromo-4,5-dimethoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 44593019
9-(3,5-dichlorophenyl)-6-methoxy-3,9-dihydrofuro[3,4-b]chromen-1-one
CID 44593023
(10R)-10-(3-methoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydro-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 7228335
8-(4-methoxyphenyl)-7-methylidene-8H-[1,3]dioxolo[4,5-g]chromen-6-one
CID 101448223
1-[(6S,7R,8S)-8-(3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 92857836
(5R,5aS,8aS,9R)-5-hydroxy-9-(3-methoxyphenyl)-5,5a,6,7,8a,9-hexahydroindeno[5,6-f][1,3]benzodioxol-8-one
CID 118282721
6-amino-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 2941798
7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
CID 46949029
8-[3-(trifluoromethyl)phenyl]-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 44593161
8-(3-chlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 44593102
(9S)-7-methoxy-9-(3-methoxyphenyl)-N-(4-methoxyphenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-imine
CID 122216547

Frequently Asked Questions

What is the IUPAC name of (8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
The IUPAC name of (8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one (CID 680082) is (8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one.
What is the SMILES notation for (8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
The canonical SMILES for (8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one is COc1cccc([C@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)c1.
What is the InChIKey of (8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
The InChIKey is AIQJGIGDRIXKNJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H14O6/c1-21-11-4-2-3-10(5-11)17-12-6-14-15(24-9-23-14)7-13(12)25-16-8-22-19(20)18(16)17/h2-7,17H,8-9H2,1H3/t17-/m1/s1.
What are the key properties of (8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
(8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one has a molecular weight of 338.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one is sourced from PubChem (CID 680082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).