9-hydroxy-9,9a-dihydrophenalen-1-one

C13H10O2 — CID 132529585

IUPAC9-hydroxy-9,9a-dihydrophenalen-1-one
SMILESO=C1C=Cc2cccc3c2C1C(O)C=C3
InChIInChI=1S/C13H10O2/c14-10-6-4-8-2-1-3-9-5-7-11(15)13(10)12(8)9/h1-7,10,13-14H
InChIKeyVCJGIACMXAKDBE-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.75
Rot. Bonds

About 9-hydroxy-9,9a-dihydrophenalen-1-one

9-hydroxy-9,9a-dihydrophenalen-1-one (PubChem CID 132529585) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 9-hydroxy-9,9a-dihydrophenalen-1-one.

Molecular Properties

Compound Name9-hydroxy-9,9a-dihydrophenalen-1-one
PubChem CID132529585
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name9-hydroxy-9,9a-dihydrophenalen-1-one
SMILESO=C1C=Cc2cccc3c2C1C(O)C=C3
InChIInChI=1S/C13H10O2/c14-10-6-4-8-2-1-3-9-5-7-11(15)13(10)12(8)9/h1-7,10,13-14H
InChIKeyVCJGIACMXAKDBE-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
7H-benzo[7]annulen-7-ol
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1,7-diethyl-1H-indene
CID 139796128
(5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione
CID 89001782
2-(7-methyl-1H-inden-1-yl)acetic acid
CID 82158091
7-methyl-1H-inden-1-amine
CID 82157961
(4R,5R)-4,5-dihydroxycyclohepta-2,6-dien-1-one
CID 130834340
(4S,5S)-4-hydroxy-5-methylcyclopent-2-en-1-one
CID 13037815
methyl 7-fluoro-1H-indene-1-carboxylate
CID 175481082

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-9,9a-dihydrophenalen-1-one?
The IUPAC name of 9-hydroxy-9,9a-dihydrophenalen-1-one (CID 132529585) is 9-hydroxy-9,9a-dihydrophenalen-1-one.
What is the SMILES notation for 9-hydroxy-9,9a-dihydrophenalen-1-one?
The canonical SMILES for 9-hydroxy-9,9a-dihydrophenalen-1-one is O=C1C=Cc2cccc3c2C1C(O)C=C3.
What is the InChIKey of 9-hydroxy-9,9a-dihydrophenalen-1-one?
The InChIKey is VCJGIACMXAKDBE-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/h1-7,10,13-14H.
What are the key properties of 9-hydroxy-9,9a-dihydrophenalen-1-one?
9-hydroxy-9,9a-dihydrophenalen-1-one has a molecular weight of 198.22 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-9,9a-dihydrophenalen-1-one is sourced from PubChem (CID 132529585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).