1,2,3,3a-tetrahydroacenaphthylen-3-ol

C12H12O — CID 174387998

IUPAC1,2,3,3a-tetrahydroacenaphthylen-3-ol
SMILESOC1C=Cc2cccc3c2C1CC3
InChIInChI=1S/C12H12O/c13-11-7-5-9-3-1-2-8-4-6-10(11)12(8)9/h1-3,5,7,10-11,13H,4,6H2
InChIKeyFZDMOAZBOCGLJK-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.10
Rot. Bonds

About 1,2,3,3a-tetrahydroacenaphthylen-3-ol

1,2,3,3a-tetrahydroacenaphthylen-3-ol (PubChem CID 174387998) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1,2,3,3a-tetrahydroacenaphthylen-3-ol.

Molecular Properties

Compound Name1,2,3,3a-tetrahydroacenaphthylen-3-ol
PubChem CID174387998
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name1,2,3,3a-tetrahydroacenaphthylen-3-ol
SMILESOC1C=Cc2cccc3c2C1CC3
InChIInChI=1S/C12H12O/c13-11-7-5-9-3-1-2-8-4-6-10(11)12(8)9/h1-3,5,7,10-11,13H,4,6H2
InChIKeyFZDMOAZBOCGLJK-UHFFFAOYSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3aR)-3,3a,4,5-tetrahydroacenaphthylene
CID 95734729
8-methyl-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 115010745
9-hydroxy-9,9a-dihydrophenalen-1-one
CID 132529585
3-methyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine
CID 79729758
(1S)-7-bromo-2,3-dihydro-1H-inden-1-ol
CID 129246818
(1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol
CID 134294877
7-(4-tert-butylphenyl)-2,3-dihydro-1H-inden-1-ol
CID 140664493
(2R)-1,2-dihydronaphthalen-2-ol
CID 12963098
(3S)-3-(methylamino)-2,3-dihydro-1H-inden-4-ol
CID 129390412
7-(hydroxymethyl)-2,3-dihydro-1H-inden-1-ol
CID 15329434
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843
7-propoxy-2,3-dihydro-1H-inden-1-ol
CID 126991757

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a-tetrahydroacenaphthylen-3-ol?
The IUPAC name of 1,2,3,3a-tetrahydroacenaphthylen-3-ol (CID 174387998) is 1,2,3,3a-tetrahydroacenaphthylen-3-ol.
What is the SMILES notation for 1,2,3,3a-tetrahydroacenaphthylen-3-ol?
The canonical SMILES for 1,2,3,3a-tetrahydroacenaphthylen-3-ol is OC1C=Cc2cccc3c2C1CC3.
What is the InChIKey of 1,2,3,3a-tetrahydroacenaphthylen-3-ol?
The InChIKey is FZDMOAZBOCGLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c13-11-7-5-9-3-1-2-8-4-6-10(11)12(8)9/h1-3,5,7,10-11,13H,4,6H2.
What are the key properties of 1,2,3,3a-tetrahydroacenaphthylen-3-ol?
1,2,3,3a-tetrahydroacenaphthylen-3-ol has a molecular weight of 172.23 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a-tetrahydroacenaphthylen-3-ol is sourced from PubChem (CID 174387998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).