7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene

C14H12O2 — CID 14046660

IUPAC7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene
SMILESCOc1ccc2oc(C)c3c2c1C1C=CC31
InChIInChI=1S/C14H12O2/c1-7-12-8-3-4-9(8)13-10(15-2)5-6-11(16-7)14(12)13/h3-6,8-9H,1-2H3
InChIKeyFBKIRQZKOOTEHV-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.50
Rot. Bonds1

About 7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene

7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene (PubChem CID 14046660) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene.

Molecular Properties

Compound Name7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene
PubChem CID14046660
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene
SMILESCOc1ccc2oc(C)c3c2c1C1C=CC31
InChIInChI=1S/C14H12O2/c1-7-12-8-3-4-9(8)13-10(15-2)5-6-11(16-7)14(12)13/h3-6,8-9H,1-2H3
InChIKeyFBKIRQZKOOTEHV-UHFFFAOYSA-N
XLogP3.50
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene?
The IUPAC name of 7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene (CID 14046660) is 7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene.
What is the SMILES notation for 7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene?
The canonical SMILES for 7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene is COc1ccc2oc(C)c3c2c1C1C=CC31.
What is the InChIKey of 7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene?
The InChIKey is FBKIRQZKOOTEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-7-12-8-3-4-9(8)13-10(15-2)5-6-11(16-7)14(12)13/h3-6,8-9H,1-2H3.
What are the key properties of 7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene?
7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene has a molecular weight of 212.25 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-3-oxatetracyclo[6.4.1.04,13.09,12]trideca-1,4(13),5,7,10-pentaene is sourced from PubChem (CID 14046660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).