5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one

C11H14O2 — CID 162063505

IUPAC5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one
SMILESCOC1CCCC2=C1C=CC(=O)C2
InChIInChI=1S/C11H14O2/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h5-6,11H,2-4,7H2,1H3
InChIKeyZADOKSAZLCDRGH-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.01
Rot. Bonds1

About 5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one

5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one (PubChem CID 162063505) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one
PubChem CID162063505
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one
SMILESCOC1CCCC2=C1C=CC(=O)C2
InChIInChI=1S/C11H14O2/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h5-6,11H,2-4,7H2,1H3
InChIKeyZADOKSAZLCDRGH-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23084389
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CID 68458245
2-(Trifluoromethyl)-2,3,4,5-tetrahydrochromen-6-one
CID 175056289
1-Acetyl-3-ethoxy-1-cyclohexene
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3-(Methoxymethyl)-4-methylidenecyclohex-2-en-1-one
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Methylchroman-5,6-dione
CID 129712204
3-propanethioyl-3,4,9,10-tetrahydro-1H-benzo[g]isochromene-5,8-dione
CID 18932662
5,8,10-Trimethoxy-3-methyl-2,5-dihydroanthracene-1,9-dione
CID 19926680
2-Methoxy-1,2,5,7,8,9-hexahydrobenzo[7]annulen-6-one
CID 20450151
7-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 66940023
6-methoxy-4,6,7,8-tetrahydro-3H-naphthalen-2-one
CID 68446381

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
The IUPAC name of 5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one (CID 162063505) is 5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one.
What is the SMILES notation for 5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
The canonical SMILES for 5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one is COC1CCCC2=C1C=CC(=O)C2.
What is the InChIKey of 5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
The InChIKey is ZADOKSAZLCDRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h5-6,11H,2-4,7H2,1H3.
What are the key properties of 5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one?
5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one is sourced from PubChem (CID 162063505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).