14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol

C14H12O3 — CID 14289254

IUPAC14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol
SMILESOc1c2c(cc3ccccc13)C1CCOC1O2
InChIInChI=1S/C14H12O3/c15-12-9-4-2-1-3-8(9)7-11-10-5-6-16-14(10)17-13(11)12/h1-4,7,10,14-15H,5-6H2
InChIKeyUHYUGGWJZLUKDH-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.77
Rot. Bonds

About 14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol

14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol (PubChem CID 14289254) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol.

Molecular Properties

Compound Name14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol
PubChem CID14289254
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol
SMILESOc1c2c(cc3ccccc13)C1CCOC1O2
InChIInChI=1S/C14H12O3/c15-12-9-4-2-1-3-8(9)7-11-10-5-6-16-14(10)17-13(11)12/h1-4,7,10,14-15H,5-6H2
InChIKeyUHYUGGWJZLUKDH-UHFFFAOYSA-N
XLogP2.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol?
The IUPAC name of 14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol (CID 14289254) is 14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol.
What is the SMILES notation for 14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol?
The canonical SMILES for 14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol is Oc1c2c(cc3ccccc13)C1CCOC1O2.
What is the InChIKey of 14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol?
The InChIKey is UHYUGGWJZLUKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-12-9-4-2-1-3-8(9)7-11-10-5-6-16-14(10)17-13(11)12/h1-4,7,10,14-15H,5-6H2.
What are the key properties of 14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol?
14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol has a molecular weight of 228.25 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-2-ol is sourced from PubChem (CID 14289254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).