1-[(E)-but-2-enoxy]-4-methoxynaphthalene

C15H16O2 — CID 134894339

IUPAC1-[(E)-but-2-enoxy]-4-methoxynaphthalene
SMILESC/C=C/COc1ccc(OC)c2ccccc12
InChIInChI=1S/C15H16O2/c1-3-4-11-17-15-10-9-14(16-2)12-7-5-6-8-13(12)15/h3-10H,11H2,1-2H3/b4-3+
InChIKeyNEAHQGXNJIDQCQ-ONEGZZNKSA-N
MW228.29 g/mol
LogP3.80
Rot. Bonds4

About 1-[(E)-but-2-enoxy]-4-methoxynaphthalene

1-[(E)-but-2-enoxy]-4-methoxynaphthalene (PubChem CID 134894339) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[(E)-but-2-enoxy]-4-methoxynaphthalene.

Molecular Properties

Compound Name1-[(E)-but-2-enoxy]-4-methoxynaphthalene
PubChem CID134894339
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-[(E)-but-2-enoxy]-4-methoxynaphthalene
SMILESC/C=C/COc1ccc(OC)c2ccccc12
InChIInChI=1S/C15H16O2/c1-3-4-11-17-15-10-9-14(16-2)12-7-5-6-8-13(12)15/h3-10H,11H2,1-2H3/b4-3+
InChIKeyNEAHQGXNJIDQCQ-ONEGZZNKSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enoxy]-2-methylbenzene
CID 60773432
[2-[(E)-but-2-enoxy]naphthalen-1-yl]boronic acid
CID 54911168
1-bromo-2-[(E)-but-2-enoxy]benzene
CID 13357581
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
but-2-enoxybenzene
CID 564963
4-[(E)-but-2-enoxy]chromen-2-one
CID 14904180
1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol
CID 14692873
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
2-[(E)-but-2-enoxy]benzonitrile
CID 15264428
1-[2-[(E)-but-2-enoxy]phenyl]ethanol
CID 43504052
2-[2-[(E)-but-2-enoxy]phenyl]acetic acid
CID 80742416
2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol
CID 12072336

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enoxy]-4-methoxynaphthalene?
The IUPAC name of 1-[(E)-but-2-enoxy]-4-methoxynaphthalene (CID 134894339) is 1-[(E)-but-2-enoxy]-4-methoxynaphthalene.
What is the SMILES notation for 1-[(E)-but-2-enoxy]-4-methoxynaphthalene?
The canonical SMILES for 1-[(E)-but-2-enoxy]-4-methoxynaphthalene is C/C=C/COc1ccc(OC)c2ccccc12.
What is the InChIKey of 1-[(E)-but-2-enoxy]-4-methoxynaphthalene?
The InChIKey is NEAHQGXNJIDQCQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H16O2/c1-3-4-11-17-15-10-9-14(16-2)12-7-5-6-8-13(12)15/h3-10H,11H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-but-2-enoxy]-4-methoxynaphthalene?
1-[(E)-but-2-enoxy]-4-methoxynaphthalene has a molecular weight of 228.29 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoxy]-4-methoxynaphthalene is sourced from PubChem (CID 134894339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).