6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene

C19H22O2 — CID 102246905

IUPAC6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene
SMILESCOCc1cc2cc(c1)CCc1cc(cc(OC)c1)CC2
InChIInChI=1S/C19H22O2/c1-20-13-18-9-14-3-5-16-8-17(12-19(11-16)21-2)6-4-15(7-14)10-18/h7-12H,3-6,13H2,1-2H3
InChIKeyZMCQQUDENBRCRF-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.73
Rot. Bonds3

About 6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene

6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene (PubChem CID 102246905) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene.

Molecular Properties

Compound Name6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene
PubChem CID102246905
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene
SMILESCOCc1cc2cc(c1)CCc1cc(cc(OC)c1)CC2
InChIInChI=1S/C19H22O2/c1-20-13-18-9-14-3-5-16-8-17(12-19(11-16)21-2)6-4-15(7-14)10-18/h7-12H,3-6,13H2,1-2H3
InChIKeyZMCQQUDENBRCRF-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene?
The IUPAC name of 6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene (CID 102246905) is 6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene.
What is the SMILES notation for 6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene?
The canonical SMILES for 6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene is COCc1cc2cc(c1)CCc1cc(cc(OC)c1)CC2.
What is the InChIKey of 6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene?
The InChIKey is ZMCQQUDENBRCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-20-13-18-9-14-3-5-16-8-17(12-19(11-16)21-2)6-4-15(7-14)10-18/h7-12H,3-6,13H2,1-2H3.
What are the key properties of 6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene?
6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene has a molecular weight of 282.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-13-(methoxymethyl)tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene is sourced from PubChem (CID 102246905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).