2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one

C13H16O2 — CID 10845865

IUPAC2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCC1CCc2ccc(OC)cc2C1=O
InChIInChI=1S/C13H16O2/c1-3-9-4-5-10-6-7-11(15-2)8-12(10)13(9)14/h6-9H,3-5H2,1-2H3
InChIKeyJUNZXQCBRHZBME-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.85
Rot. Bonds2

About 2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one

2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10845865) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10845865
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCC1CCc2ccc(OC)cc2C1=O
InChIInChI=1S/C13H16O2/c1-3-9-4-5-10-6-7-11(15-2)8-12(10)13(9)14/h6-9H,3-5H2,1-2H3
InChIKeyJUNZXQCBRHZBME-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
CID 10776928
2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11266614
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride
CID 172641351
(3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one
CID 721891
(3S)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one
CID 721893
(2S)-2-[(dimethylamino)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70254705
7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one
CID 59419878
(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
2-benzoyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 79235413
3-[(2S)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]propanoic acid
CID 129394210
(2S)-2-but-2-enyl-6-methoxy-2,3-dihydroinden-1-one
CID 67713869

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one (CID 10845865) is 2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one is CCC1CCc2ccc(OC)cc2C1=O.
What is the InChIKey of 2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is JUNZXQCBRHZBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-3-9-4-5-10-6-7-11(15-2)8-12(10)13(9)14/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one?
2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10845865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).