4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one

C12H8O3 — CID 91284764

IUPAC4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one
SMILESO=c1oc(O)c2c3c(cccc13)CC=C2
InChIInChI=1S/C12H8O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-3,5-6,14H,4H2
InChIKeyYUUOVBRWKUXCFI-UHFFFAOYSA-N
MW200.19 g/mol
LogP2.07
Rot. Bonds

About 4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one

4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one (PubChem CID 91284764) has the molecular formula C12H8O3 and a molecular weight of 200.19 g/mol. Its IUPAC name is 4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one
PubChem CID91284764
Molecular FormulaC12H8O3
Molecular Weight200.19 g/mol
Exact Mass200.05
IUPAC Name4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one
SMILESO=c1oc(O)c2c3c(cccc13)CC=C2
InChIInChI=1S/C12H8O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-3,5-6,14H,4H2
InChIKeyYUUOVBRWKUXCFI-UHFFFAOYSA-N
XLogP2.07
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one
CID 175460541
6-(6H-phenalen-1-yl)-1H-phenalene
CID 132501427
3H-benzo[a]phenalen-7-ylmethyl 2-methylbutanoate
CID 164739038
1-(1-methyl-6H-phenalen-2-yl)ethanone
CID 101125512
pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5,7,9,12,14,16,19-decaene
CID 12054520
1-(1H-inden-4-yl)phenanthrene
CID 174767393
4-iodo-1H-phenalene
CID 156512606
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
1,3-dioxol-2-one;1H-phenalene
CID 175175207
4,11-dideuterio-15-(10-phenylanthracen-9-yl)-13-oxahexacyclo[14.7.1.02,14.03,12.05,10.020,24]tetracosa-1,3,5,7,9,11,14,16,18,20(24),22-undecaene
CID 176841123
1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
CID 139586019
1H-phenalene;hydrofluoride
CID 174317076

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one?
The IUPAC name of 4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one (CID 91284764) is 4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one.
What is the SMILES notation for 4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one?
The canonical SMILES for 4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one is O=c1oc(O)c2c3c(cccc13)CC=C2.
What is the InChIKey of 4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one?
The InChIKey is YUUOVBRWKUXCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(14)15-11/h1-3,5-6,14H,4H2.
What are the key properties of 4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one?
4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one has a molecular weight of 200.19 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),4,6,9(13),10-pentaen-2-one is sourced from PubChem (CID 91284764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).