3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol

C17H12O3 — CID 10015652

IUPAC3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol
SMILESOCc1cc2c(o1)-c1ccccc1Oc1ccccc1-2
InChIInChI=1S/C17H12O3/c18-10-11-9-14-12-5-1-3-7-15(12)20-16-8-4-2-6-13(16)17(14)19-11/h1-9,18H,10H2
InChIKeyAYDWNSJCXKHELQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP4.21
Rot. Bonds1

About 3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol

3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol (PubChem CID 10015652) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol.

Molecular Properties

Compound Name3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol
PubChem CID10015652
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol
SMILESOCc1cc2c(o1)-c1ccccc1Oc1ccccc1-2
InChIInChI=1S/C17H12O3/c18-10-11-9-14-12-5-1-3-7-15(12)20-16-8-4-2-6-13(16)17(14)19-11/h1-9,18H,10H2
InChIKeyAYDWNSJCXKHELQ-UHFFFAOYSA-N
XLogP4.21
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol?
The IUPAC name of 3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol (CID 10015652) is 3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol.
What is the SMILES notation for 3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol?
The canonical SMILES for 3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol is OCc1cc2c(o1)-c1ccccc1Oc1ccccc1-2.
What is the InChIKey of 3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol?
The InChIKey is AYDWNSJCXKHELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-10-11-9-14-12-5-1-3-7-15(12)20-16-8-4-2-6-13(16)17(14)19-11/h1-9,18H,10H2.
What are the key properties of 3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol?
3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol has a molecular weight of 264.28 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,13-dioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-4-ylmethanol is sourced from PubChem (CID 10015652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).