2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol

C17H18O — CID 3337449

IUPAC2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol
SMILESOCC1Cc2ccc(cc2)CCc2ccc1cc2
InChIInChI=1S/C17H18O/c18-12-17-11-15-5-3-13(4-6-15)1-2-14-7-9-16(17)10-8-14/h3-10,17-18H,1-2,11-12H2
InChIKeySDGZYFHXEBQLNV-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.10
Rot. Bonds1

About 2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol

2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol (PubChem CID 3337449) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol.

Molecular Properties

Compound Name2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol
PubChem CID3337449
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol
SMILESOCC1Cc2ccc(cc2)CCc2ccc1cc2
InChIInChI=1S/C17H18O/c18-12-17-11-15-5-3-13(4-6-15)1-2-14-7-9-16(17)10-8-14/h3-10,17-18H,1-2,11-12H2
InChIKeySDGZYFHXEBQLNV-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol?
The IUPAC name of 2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol (CID 3337449) is 2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol.
What is the SMILES notation for 2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol?
The canonical SMILES for 2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol is OCC1Cc2ccc(cc2)CCc2ccc1cc2.
What is the InChIKey of 2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol?
The InChIKey is SDGZYFHXEBQLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c18-12-17-11-15-5-3-13(4-6-15)1-2-14-7-9-16(17)10-8-14/h3-10,17-18H,1-2,11-12H2.
What are the key properties of 2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol?
2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol has a molecular weight of 238.33 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenylmethanol is sourced from PubChem (CID 3337449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).