8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one

C11H14O3 — CID 141228599

IUPAC8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one
SMILESCOC1CC=C(O)C2=C1CCCC2=O
InChIInChI=1S/C11H14O3/c1-14-10-6-5-9(13)11-7(10)3-2-4-8(11)12/h5,10,13H,2-4,6H2,1H3
InChIKeyPZPYKUVBXPIVMB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.90
Rot. Bonds1

About 8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one

8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one (PubChem CID 141228599) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one
PubChem CID141228599
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one
SMILESCOC1CC=C(O)C2=C1CCCC2=O
InChIInChI=1S/C11H14O3/c1-14-10-6-5-9(13)11-7(10)3-2-4-8(11)12/h5,10,13H,2-4,6H2,1H3
InChIKeyPZPYKUVBXPIVMB-UHFFFAOYSA-N
XLogP1.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-4,6,7,8-tetrahydro-3H-naphthalen-2-one
CID 68446381
5,7-Dimethoxy-2,3,4,5-tetrahydroinden-1-one
CID 141318144
5-Hydroxy-2,3,5,6-tetrahydronaphthalene-1,4-dione
CID 145643333
5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 162063505
6-Hydroxy-15-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9,13(16)-tetraene-3,4-dione
CID 163920583
4-hydroxy-2-(4-methylpent-3-enyl)-7-pentyl-2H-chromene-5,8-dione
CID 176639772
(4-Hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-ylidene)oxidanium
CID 163140527
4-Hydroxy-3-methyl-2,6,7,8-tetrahydrochromen-5-one
CID 163140528

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one (CID 141228599) is 8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one is COC1CC=C(O)C2=C1CCCC2=O.
What is the InChIKey of 8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one?
The InChIKey is PZPYKUVBXPIVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-14-10-6-5-9(13)11-7(10)3-2-4-8(11)12/h5,10,13H,2-4,6H2,1H3.
What are the key properties of 8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one?
8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one has a molecular weight of 194.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-methoxy-3,4,5,6-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 141228599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).