6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol

C17H18O3 — CID 11269745

IUPAC6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol
SMILESCOc1cc2c(O)c(c1C)COc1cccc(c1)CC2
InChIInChI=1S/C17H18O3/c1-11-15-10-20-14-5-3-4-12(8-14)6-7-13(17(15)18)9-16(11)19-2/h3-5,8-9,18H,6-7,10H2,1-2H3
InChIKeyIMOYYFIDIMDHBC-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.39
Rot. Bonds1

About 6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol

6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol (PubChem CID 11269745) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol.

Molecular Properties

Compound Name6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol
PubChem CID11269745
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol
SMILESCOc1cc2c(O)c(c1C)COc1cccc(c1)CC2
InChIInChI=1S/C17H18O3/c1-11-15-10-20-14-5-3-4-12(8-14)6-7-13(17(15)18)9-16(11)19-2/h3-5,8-9,18H,6-7,10H2,1-2H3
InChIKeyIMOYYFIDIMDHBC-UHFFFAOYSA-N
XLogP3.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15894571
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5-methoxy-7-methyl-2,3-dihydro-1-benzofuran-6-ol
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5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 15073818
3,5-dimethoxy-2,6-dimethylphenol
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CID 172869288
2,15-dioxapentacyclo[22.3.1.13,7.110,14.016,21]triaconta-1(27),3(30),4,6,10(29),11,13,16(21),17,19,24(28),25-dodecaene-4,5,17-triol
CID 101050879
6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine
CID 174415109
6,7-dimethoxy-3-methyl-1,2-dihydronaphthalene
CID 10703379
2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol
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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol?
The IUPAC name of 6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol (CID 11269745) is 6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol.
What is the SMILES notation for 6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol?
The canonical SMILES for 6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol is COc1cc2c(O)c(c1C)COc1cccc(c1)CC2.
What is the InChIKey of 6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol?
The InChIKey is IMOYYFIDIMDHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11-15-10-20-14-5-3-4-12(8-14)6-7-13(17(15)18)9-16(11)19-2/h3-5,8-9,18H,6-7,10H2,1-2H3.
What are the key properties of 6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol?
6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol has a molecular weight of 270.33 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-2-oxatricyclo[9.3.1.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-16-ol is sourced from PubChem (CID 11269745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).