9-hydroxy-2,3-dihydrophenalen-1-one

C13H10O2 — CID 145294882

IUPAC9-hydroxy-2,3-dihydrophenalen-1-one
SMILESO=C1CCc2cccc3ccc(O)c1c23
InChIInChI=1S/C13H10O2/c14-10-6-4-8-2-1-3-9-5-7-11(15)13(10)12(8)9/h1-4,6,14H,5,7H2
InChIKeyITLIEYZJSOGYJG-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.67
Rot. Bonds

About 9-hydroxy-2,3-dihydrophenalen-1-one

9-hydroxy-2,3-dihydrophenalen-1-one (PubChem CID 145294882) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 9-hydroxy-2,3-dihydrophenalen-1-one.

Molecular Properties

Compound Name9-hydroxy-2,3-dihydrophenalen-1-one
PubChem CID145294882
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name9-hydroxy-2,3-dihydrophenalen-1-one
SMILESO=C1CCc2cccc3ccc(O)c1c23
InChIInChI=1S/C13H10O2/c14-10-6-4-8-2-1-3-9-5-7-11(15)13(10)12(8)9/h1-4,6,14H,5,7H2
InChIKeyITLIEYZJSOGYJG-UHFFFAOYSA-N
XLogP2.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dihydroacenaphthylene
CID 161018660
1,2-dihydroacenaphthylene;dioxotitanium
CID 175288385
8-hydroxy-5-(8-hydroxynaphthalen-1-yl)oxy-3,4-dihydro-2H-naphthalen-1-one
CID 10639402
8-fluoro-2H-acenaphthylen-1-one
CID 594034
1,2-dihydroacenaphthylene;perylene
CID 157201241
7-fluoro-8-hydroxy-2,3-dihydrophenalen-1-one
CID 172847715
tetracyclo[7.6.2.04,17.012,16]heptadeca-1(16),2,4(17),8,12,14-hexaene
CID 143151885
4-chloro-7-hydroxy-2,3-dihydroinden-1-one
CID 12857254
9-bromo-7-hydroxy-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 171477355
9-bromo-1,2-dihydrocyclopenta[a]naphthalen-3-one
CID 157023468
1,2-dihydroacenaphthylen-3-amine;hydrobromide
CID 158935493
7-(trifluoromethyl)-2,3-dihydroinden-1-one
CID 22754140

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2,3-dihydrophenalen-1-one?
The IUPAC name of 9-hydroxy-2,3-dihydrophenalen-1-one (CID 145294882) is 9-hydroxy-2,3-dihydrophenalen-1-one.
What is the SMILES notation for 9-hydroxy-2,3-dihydrophenalen-1-one?
The canonical SMILES for 9-hydroxy-2,3-dihydrophenalen-1-one is O=C1CCc2cccc3ccc(O)c1c23.
What is the InChIKey of 9-hydroxy-2,3-dihydrophenalen-1-one?
The InChIKey is ITLIEYZJSOGYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-10-6-4-8-2-1-3-9-5-7-11(15)13(10)12(8)9/h1-4,6,14H,5,7H2.
What are the key properties of 9-hydroxy-2,3-dihydrophenalen-1-one?
9-hydroxy-2,3-dihydrophenalen-1-one has a molecular weight of 198.22 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2,3-dihydrophenalen-1-one is sourced from PubChem (CID 145294882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).