3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene

C15H18O — CID 134887823

IUPAC3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene
SMILESC=C(OCC)C1=Cc2c(C)cccc2CC1
InChIInChI=1S/C15H18O/c1-4-16-12(3)14-9-8-13-7-5-6-11(2)15(13)10-14/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyXRILXQHYOJMDID-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.87
Rot. Bonds3

About 3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene

3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene (PubChem CID 134887823) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene
PubChem CID134887823
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene
SMILESC=C(OCC)C1=Cc2c(C)cccc2CC1
InChIInChI=1S/C15H18O/c1-4-16-12(3)14-9-8-13-7-5-6-11(2)15(13)10-14/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyXRILXQHYOJMDID-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3,6-Dihydro-4,6-dimethyl-2-(1-phenylethyl)-2H-pyran
CID 122420336
4-butyl-3-fluoro-1-methyl-1H-isochromene
CID 101716711
1-Methoxy-3,4-dihydronaphthalene
CID 10877419
2-Naphthyl diethyl ether
CID 11333131
Bis-(2,4-dimethylbenzyl)-ether
CID 15254143
1-(1-Butoxyethenyl)-2-methylbenzene
CID 21536579
4-Methyl-2-(2-phenylethyl)-3,6-dihydro-2H-pyran
CID 71347493
(2-Methylphenyl) methanol, isopropyl ether
CID 11819375
(2-Methylphenyl) methanol, tert,-butyl ether
CID 12709979
(2-Methylphenyl) methanol, 1-methylpropyl ether
CID 91703751
Acetyl dehydrorishitinol
CID 14487612
(2-Fluoro-4-methoxycyclohex-2-en-1-yl)benzene
CID 101881695

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene?
The IUPAC name of 3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene (CID 134887823) is 3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene?
The canonical SMILES for 3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene is C=C(OCC)C1=Cc2c(C)cccc2CC1.
What is the InChIKey of 3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene?
The InChIKey is XRILXQHYOJMDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-4-16-12(3)14-9-8-13-7-5-6-11(2)15(13)10-14/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of 3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene?
3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene has a molecular weight of 214.31 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)-5-methyl-1,2-dihydronaphthalene is sourced from PubChem (CID 134887823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).