7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione

C19H16O3 — CID 15883466

IUPAC7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione
SMILESO=C1c2ccccc2C(=O)c2c3c(cc(O)c21)CCCCC3
InChIInChI=1S/C19H16O3/c20-15-10-11-6-2-1-3-7-12(11)16-17(15)19(22)14-9-5-4-8-13(14)18(16)21/h4-5,8-10,20H,1-3,6-7H2
InChIKeyFLBWVRTZNAXREV-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.44
Rot. Bonds

About 7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione

7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione (PubChem CID 15883466) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione.

Molecular Properties

Compound Name7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione
PubChem CID15883466
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione
SMILESO=C1c2ccccc2C(=O)c2c3c(cc(O)c21)CCCCC3
InChIInChI=1S/C19H16O3/c20-15-10-11-6-2-1-3-7-12(11)16-17(15)19(22)14-9-5-4-8-13(14)18(16)21/h4-5,8-10,20H,1-3,6-7H2
InChIKeyFLBWVRTZNAXREV-UHFFFAOYSA-N
XLogP3.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

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CID 21419205
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol
CID 21151081
1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;sulfane
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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione?
The IUPAC name of 7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione (CID 15883466) is 7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione.
What is the SMILES notation for 7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione?
The canonical SMILES for 7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione is O=C1c2ccccc2C(=O)c2c3c(cc(O)c21)CCCCC3.
What is the InChIKey of 7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione?
The InChIKey is FLBWVRTZNAXREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c20-15-10-11-6-2-1-3-7-12(11)16-17(15)19(22)14-9-5-4-8-13(14)18(16)21/h4-5,8-10,20H,1-3,6-7H2.
What are the key properties of 7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione?
7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione has a molecular weight of 292.33 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,3,4,5-tetrahydro-1H-cyclohepta[a]anthracene-8,13-dione is sourced from PubChem (CID 15883466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).