14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol

C17H26O2 — CID 11196307

IUPAC14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol
SMILESCOc1cc2c(O)c(c1)CCCCCCCCCC2
InChIInChI=1S/C17H26O2/c1-19-16-12-14-10-8-6-4-2-3-5-7-9-11-15(13-16)17(14)18/h12-13,18H,2-11H2,1H3
InChIKeySNMAJHYLFMKYLC-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.62
Rot. Bonds1

About 14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol

14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol (PubChem CID 11196307) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol.

Molecular Properties

Compound Name14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol
PubChem CID11196307
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol
SMILESCOc1cc2c(O)c(c1)CCCCCCCCCC2
InChIInChI=1S/C17H26O2/c1-19-16-12-14-10-8-6-4-2-3-5-7-9-11-15(13-16)17(14)18/h12-13,18H,2-11H2,1H3
InChIKeySNMAJHYLFMKYLC-UHFFFAOYSA-N
XLogP4.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol?
The IUPAC name of 14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol (CID 11196307) is 14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol.
What is the SMILES notation for 14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol?
The canonical SMILES for 14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol is COc1cc2c(O)c(c1)CCCCCCCCCC2.
What is the InChIKey of 14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol?
The InChIKey is SNMAJHYLFMKYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-19-16-12-14-10-8-6-4-2-3-5-7-9-11-15(13-16)17(14)18/h12-13,18H,2-11H2,1H3.
What are the key properties of 14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol?
14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol has a molecular weight of 262.39 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol is sourced from PubChem (CID 11196307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).