1-ethyl-4-methoxy-1,4-dihydronaphthalene

C13H16O — CID 101029310

IUPAC1-ethyl-4-methoxy-1,4-dihydronaphthalene
SMILESCCC1C=CC(OC)c2ccccc21
InChIInChI=1S/C13H16O/c1-3-10-8-9-13(14-2)12-7-5-4-6-11(10)12/h4-10,13H,3H2,1-2H3
InChIKeyIZLRECYTEJFUMQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.44
Rot. Bonds2

About 1-ethyl-4-methoxy-1,4-dihydronaphthalene

1-ethyl-4-methoxy-1,4-dihydronaphthalene (PubChem CID 101029310) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-ethyl-4-methoxy-1,4-dihydronaphthalene.

Molecular Properties

Compound Name1-ethyl-4-methoxy-1,4-dihydronaphthalene
PubChem CID101029310
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1-ethyl-4-methoxy-1,4-dihydronaphthalene
SMILESCCC1C=CC(OC)c2ccccc21
InChIInChI=1S/C13H16O/c1-3-10-8-9-13(14-2)12-7-5-4-6-11(10)12/h4-10,13H,3H2,1-2H3
InChIKeyIZLRECYTEJFUMQ-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-4H-chromene
CID 91024719
lithium 9-ethyl-9H-fluorene
CID 23225742
ethyl 2-[(1S,4S)-4-[[deuterio(tritio)boranyl]methylsulfanyloxy]-1,4-dihydronaphthalen-1-yl]acetate
CID 59083054
9-ethyl-1-methyl-9H-fluorene
CID 15584367
10-ethyl-5-hydroxy-10H-acridophosphine 5-oxide
CID 71394298
(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
ethyl 2-[(1S,4S)-4-nitroso-1,4-dihydronaphthalen-1-yl]acetate
CID 163768240
1-ethyl-2-methyl-1H-indene
CID 12910549
1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran
CID 163445562
3-butyl-1-methoxy-1H-isochromene
CID 15544138
1,2-diethyl-1H-indene
CID 54262428

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methoxy-1,4-dihydronaphthalene?
The IUPAC name of 1-ethyl-4-methoxy-1,4-dihydronaphthalene (CID 101029310) is 1-ethyl-4-methoxy-1,4-dihydronaphthalene.
What is the SMILES notation for 1-ethyl-4-methoxy-1,4-dihydronaphthalene?
The canonical SMILES for 1-ethyl-4-methoxy-1,4-dihydronaphthalene is CCC1C=CC(OC)c2ccccc21.
What is the InChIKey of 1-ethyl-4-methoxy-1,4-dihydronaphthalene?
The InChIKey is IZLRECYTEJFUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-3-10-8-9-13(14-2)12-7-5-4-6-11(10)12/h4-10,13H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-methoxy-1,4-dihydronaphthalene?
1-ethyl-4-methoxy-1,4-dihydronaphthalene has a molecular weight of 188.27 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methoxy-1,4-dihydronaphthalene is sourced from PubChem (CID 101029310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).