11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol

C23H24O2 — CID 157187366

IUPAC11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol
SMILESC1=CC2OC1c1ccccc12.CC(C)[C@@H]1C=Cc2ccccc2[C@H]1O
InChIInChI=1S/C13H16O.C10H8O/c1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;1-2-4-8-7(3-1)9-5-6-10(8)11-9/h3-9,11,13-14H,1-2H3;1-6,9-10H/t11-,13-;/m0./s1
InChIKeyAPGXDJOUQFBLHB-JZKFLRDJSA-N
MW332.44 g/mol
LogP5.39
Rot. Bonds1

About 11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol

11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol (PubChem CID 157187366) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol
PubChem CID157187366
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol
SMILESC1=CC2OC1c1ccccc12.CC(C)[C@@H]1C=Cc2ccccc2[C@H]1O
InChIInChI=1S/C13H16O.C10H8O/c1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;1-2-4-8-7(3-1)9-5-6-10(8)11-9/h3-9,11,13-14H,1-2H3;1-6,9-10H/t11-,13-;/m0./s1
InChIKeyAPGXDJOUQFBLHB-JZKFLRDJSA-N
XLogP5.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol with MolForge

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Related Compounds

[(1R,2S)-2-propan-2-yl-1,2-dihydronaphthalen-1-yl]methanol
CID 10726808
(1R,2S)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 13056069
(1R,2R)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 11252162
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
(1R,2R)-2-amino-1,2-dihydronaphthalen-1-ol;hydrochloride
CID 71310849
hydron;1H-inden-1-ol
CID 174812636
21,22-dioxaheptacyclo[12.6.1.14,11.02,13.03,12.05,10.015,20]docosa-5,7,9,15,17,19-hexaene;11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 159133758
(1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol
CID 131848736
sodium;hydride;1-[1-(1H-inden-1-yl)ethyl]-1H-indene
CID 173341503
(1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol
CID 135042967
1H-inden-1-amine
CID 14298803
2-(4-chlorophenyl)-1,2-dihydronaphthalen-1-ol
CID 174973723

Frequently Asked Questions

What is the IUPAC name of 11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol?
The IUPAC name of 11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol (CID 157187366) is 11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for 11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for 11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol is C1=CC2OC1c1ccccc12.CC(C)[C@@H]1C=Cc2ccccc2[C@H]1O.
What is the InChIKey of 11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol?
The InChIKey is APGXDJOUQFBLHB-JZKFLRDJSA-N. The full InChI is InChI=1S/C13H16O.C10H8O/c1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;1-2-4-8-7(3-1)9-5-6-10(8)11-9/h3-9,11,13-14H,1-2H3;1-6,9-10H/t11-,13-;/m0./s1.
What are the key properties of 11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol?
11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol has a molecular weight of 332.44 g/mol, XLogP of 5.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;(1S,2R)-2-propan-2-yl-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 157187366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).