11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol

C15H16O3 — CID 170196060

IUPAC11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol
SMILESCOc1ccc2c3c1OC1C(O)C=CC(CC2)C31
InChIInChI=1S/C15H16O3/c1-17-11-7-5-9-3-2-8-4-6-10(16)14-12(8)13(9)15(11)18-14/h4-8,10,12,14,16H,2-3H2,1H3
InChIKeyASUNPYSQRMXMBP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.03
Rot. Bonds1

About 11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol

11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol (PubChem CID 170196060) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol.

Molecular Properties

Compound Name11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol
PubChem CID170196060
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol
SMILESCOc1ccc2c3c1OC1C(O)C=CC(CC2)C31
InChIInChI=1S/C15H16O3/c1-17-11-7-5-9-3-2-8-4-6-10(16)14-12(8)13(9)15(11)18-14/h4-8,10,12,14,16H,2-3H2,1H3
InChIKeyASUNPYSQRMXMBP-UHFFFAOYSA-N
XLogP2.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol?
The IUPAC name of 11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol (CID 170196060) is 11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol.
What is the SMILES notation for 11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol?
The canonical SMILES for 11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol is COc1ccc2c3c1OC1C(O)C=CC(CC2)C31.
What is the InChIKey of 11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol?
The InChIKey is ASUNPYSQRMXMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-17-11-7-5-9-3-2-8-4-6-10(16)14-12(8)13(9)15(11)18-14/h4-8,10,12,14,16H,2-3H2,1H3.
What are the key properties of 11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol?
11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol has a molecular weight of 244.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,8(13),9,11-tetraen-2-ol is sourced from PubChem (CID 170196060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).