5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene

C19H18O — CID 22970361

IUPAC5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene
SMILESC=C1CC2Cc3ccc(OC)cc3Cc3cccc1c32
InChIInChI=1S/C19H18O/c1-12-8-16-9-13-6-7-17(20-2)11-15(13)10-14-4-3-5-18(12)19(14)16/h3-7,11,16H,1,8-10H2,2H3
InChIKeyOCSQGKRICSLLQV-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.34
Rot. Bonds1

About 5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene

5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene (PubChem CID 22970361) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene.

Molecular Properties

Compound Name5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene
PubChem CID22970361
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene
SMILESC=C1CC2Cc3ccc(OC)cc3Cc3cccc1c32
InChIInChI=1S/C19H18O/c1-12-8-16-9-13-6-7-17(20-2)11-15(13)10-14-4-3-5-18(12)19(14)16/h3-7,11,16H,1,8-10H2,2H3
InChIKeyOCSQGKRICSLLQV-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene?
The IUPAC name of 5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene (CID 22970361) is 5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene.
What is the SMILES notation for 5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene?
The canonical SMILES for 5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene is C=C1CC2Cc3ccc(OC)cc3Cc3cccc1c32.
What is the InChIKey of 5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene?
The InChIKey is OCSQGKRICSLLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-12-8-16-9-13-6-7-17(20-2)11-15(13)10-14-4-3-5-18(12)19(14)16/h3-7,11,16H,1,8-10H2,2H3.
What are the key properties of 5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene?
5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene has a molecular weight of 262.35 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-12-methylidenetetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3(8),4,6,13,15-hexaene is sourced from PubChem (CID 22970361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).