8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione

C15H10O4 — CID 169454212

IUPAC8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
SMILESO=C1OC(=O)c2ccc(C=CCO)c3cccc1c23
InChIInChI=1S/C15H10O4/c16-8-2-3-9-6-7-12-13-10(9)4-1-5-11(13)14(17)19-15(12)18/h1-7,16H,8H2
InChIKeyGOMGQPQQERPBTL-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.16
Rot. Bonds2

About 8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione

8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione (PubChem CID 169454212) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione.

Molecular Properties

Compound Name8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
PubChem CID169454212
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
SMILESO=C1OC(=O)c2ccc(C=CCO)c3cccc1c23
InChIInChI=1S/C15H10O4/c16-8-2-3-9-6-7-12-13-10(9)4-1-5-11(13)14(17)19-15(12)18/h1-7,16H,8H2
InChIKeyGOMGQPQQERPBTL-UHFFFAOYSA-N
XLogP2.16
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione?
The IUPAC name of 8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione (CID 169454212) is 8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione.
What is the SMILES notation for 8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione?
The canonical SMILES for 8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione is O=C1OC(=O)c2ccc(C=CCO)c3cccc1c23.
What is the InChIKey of 8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione?
The InChIKey is GOMGQPQQERPBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-8-2-3-9-6-7-12-13-10(9)4-1-5-11(13)14(17)19-15(12)18/h1-7,16H,8H2.
What are the key properties of 8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione?
8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione has a molecular weight of 254.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxyprop-1-enyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione is sourced from PubChem (CID 169454212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).