1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one

C13H12O2 — CID 143668942

IUPAC1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one
SMILESO=C1C=C2c3ccccc3CC2C(O)C1
InChIInChI=1S/C13H12O2/c14-9-6-11-10-4-2-1-3-8(10)5-12(11)13(15)7-9/h1-4,6,12-13,15H,5,7H2
InChIKeyNLPNWSBCBLNRKI-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.58
Rot. Bonds

About 1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one

1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one (PubChem CID 143668942) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one.

Molecular Properties

Compound Name1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one
PubChem CID143668942
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one
SMILESO=C1C=C2c3ccccc3CC2C(O)C1
InChIInChI=1S/C13H12O2/c14-9-6-11-10-4-2-1-3-8(10)5-12(11)13(15)7-9/h1-4,6,12-13,15H,5,7H2
InChIKeyNLPNWSBCBLNRKI-UHFFFAOYSA-N
XLogP1.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,9,9a-tetrahydrofluoren-3-one
CID 12514901
(6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one
CID 11841590
(2R)-2-hydroxy-2,3-dihydroinden-1-one
CID 11137320
(3aS,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3a,4-dihydro-3H-cyclopenta[a]inden-2-one
CID 11347131
4,4a,9,9a-tetrahydro-3H-anthracene-1,2,10-trione
CID 123667942
2-(3H-inden-1-yl)-2,3-dihydroinden-1-one
CID 44721009
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
6,7,8,13,14,15,16,17-octahydrocyclopenta[a]phenanthren-12-one
CID 598547
3-(hydroxymethyl)-3,4-dihydroisochromen-1-one
CID 85204025
4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
CID 22074447
(2R)-2-[[(2R)-3-oxo-1,2-dihydroinden-2-yl]methyl]-2,3-dihydroinden-1-one
CID 910021
gold(1+);4-oxo-2,3-dihydro-1H-naphthalene-2-thiolate
CID 59102233

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one?
The IUPAC name of 1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one (CID 143668942) is 1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one.
What is the SMILES notation for 1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one?
The canonical SMILES for 1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one is O=C1C=C2c3ccccc3CC2C(O)C1.
What is the InChIKey of 1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one?
The InChIKey is NLPNWSBCBLNRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c14-9-6-11-10-4-2-1-3-8(10)5-12(11)13(15)7-9/h1-4,6,12-13,15H,5,7H2.
What are the key properties of 1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one?
1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one has a molecular weight of 200.24 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one is sourced from PubChem (CID 143668942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).