12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol

C14H10O2 — CID 14322636

IUPAC12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol
SMILESOC1Cc2coc3ccc4cccc1c4c23
InChIInChI=1S/C14H10O2/c15-11-6-9-7-16-12-5-4-8-2-1-3-10(11)13(8)14(9)12/h1-5,7,11,15H,6H2
InChIKeyBDDIQVAFZSSIEW-UHFFFAOYSA-N
MW210.23 g/mol
LogP3.18
Rot. Bonds

About 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol

12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol (PubChem CID 14322636) has the molecular formula C14H10O2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol.

Molecular Properties

Compound Name12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol
PubChem CID14322636
Molecular FormulaC14H10O2
Molecular Weight210.23 g/mol
Exact Mass210.07
IUPAC Name12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol
SMILESOC1Cc2coc3ccc4cccc1c4c23
InChIInChI=1S/C14H10O2/c15-11-6-9-7-16-12-5-4-8-2-1-3-10(11)13(8)14(9)12/h1-5,7,11,15H,6H2
InChIKeyBDDIQVAFZSSIEW-UHFFFAOYSA-N
XLogP3.18
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol?
The IUPAC name of 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol (CID 14322636) is 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol.
What is the SMILES notation for 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol?
The canonical SMILES for 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol is OC1Cc2coc3ccc4cccc1c4c23.
What is the InChIKey of 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol?
The InChIKey is BDDIQVAFZSSIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2/c15-11-6-9-7-16-12-5-4-8-2-1-3-10(11)13(8)14(9)12/h1-5,7,11,15H,6H2.
What are the key properties of 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol?
12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol has a molecular weight of 210.23 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol is sourced from PubChem (CID 14322636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).