7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol

C16H16O4 — CID 132937065

IUPAC7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol
SMILESCOc1ccc2c3c(c(O)ccc13)OC21CCCCO1
InChIInChI=1S/C16H16O4/c1-18-13-7-5-11-14-10(13)4-6-12(17)15(14)20-16(11)8-2-3-9-19-16/h4-7,17H,2-3,8-9H2,1H3
InChIKeyCWNYJTOYNATEON-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.30
Rot. Bonds1

About 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol

7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol (PubChem CID 132937065) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol.

Molecular Properties

Compound Name7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol
PubChem CID132937065
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol
SMILESCOc1ccc2c3c(c(O)ccc13)OC21CCCCO1
InChIInChI=1S/C16H16O4/c1-18-13-7-5-11-14-10(13)4-6-12(17)15(14)20-16(11)8-2-3-9-19-16/h4-7,17H,2-3,8-9H2,1H3
InChIKeyCWNYJTOYNATEON-UHFFFAOYSA-N
XLogP3.30
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol with MolForge

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Related Compounds

1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
6-(1-aminocyclopropyl)-2,3-dimethoxyphenol
CID 117298428
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(2-chloro-3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
CID 117458268
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-(2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446124
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
3',4'-dimethoxyspiro[1,3-dioxane-2,9'-thioxanthene]
CID 146302215
4-cyclopentyloxy-3-methoxybenzene-1,2-diol
CID 142657072
1-(1-hydroxy-5-methoxynaphthalen-2-yl)cyclobutane-1-carboxylic acid
CID 117433459
8-[(3-hydroxy-4-methoxyphenyl)methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione
CID 4526453

Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol?
The IUPAC name of 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol (CID 132937065) is 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol.
What is the SMILES notation for 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol?
The canonical SMILES for 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol is COc1ccc2c3c(c(O)ccc13)OC21CCCCO1.
What is the InChIKey of 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol?
The InChIKey is CWNYJTOYNATEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-18-13-7-5-11-14-10(13)4-6-12(17)15(14)20-16(11)8-2-3-9-19-16/h4-7,17H,2-3,8-9H2,1H3.
What are the key properties of 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol?
7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol has a molecular weight of 272.30 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-oxane]-11-ol is sourced from PubChem (CID 132937065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).