2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene

C17H20O2 — CID 54181716

IUPAC2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene
SMILESCCOC(C)=CCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H20O2/c1-4-19-13(2)5-6-14-7-8-16-12-17(18-3)10-9-15(16)11-14/h5,7-12H,4,6H2,1-3H3
InChIKeyPCGUHFDUFMTMPT-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.33
Rot. Bonds5

About 2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene

2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene (PubChem CID 54181716) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene.

Molecular Properties

Compound Name2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene
PubChem CID54181716
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene
SMILESCCOC(C)=CCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H20O2/c1-4-19-13(2)5-6-14-7-8-16-12-17(18-3)10-9-15(16)11-14/h5,7-12H,4,6H2,1-3H3
InChIKeyPCGUHFDUFMTMPT-UHFFFAOYSA-N
XLogP4.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
1-(6-methoxynaphthalen-2-yl)propan-2-one;propane
CID 144625735
ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate
CID 66687162
(6-methoxynaphthalen-2-yl)methanethiol
CID 79884829
ethyl N-[1-(6-methoxynaphthalen-2-yl)-3-oxopropan-2-yl]carbamate
CID 88744288
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
CID 76997095
1-(6-methoxynaphthalen-2-yl)butan-2-ol
CID 67660924
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide
CID 110884528
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
ethyl (Z)-3-(4-methoxyphenoxy)but-2-enoate
CID 66894793

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene?
The IUPAC name of 2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene (CID 54181716) is 2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene.
What is the SMILES notation for 2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene?
The canonical SMILES for 2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene is CCOC(C)=CCc1ccc2cc(OC)ccc2c1.
What is the InChIKey of 2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene?
The InChIKey is PCGUHFDUFMTMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-4-19-13(2)5-6-14-7-8-16-12-17(18-3)10-9-15(16)11-14/h5,7-12H,4,6H2,1-3H3.
What are the key properties of 2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene?
2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene has a molecular weight of 256.34 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxybut-2-enyl)-6-methoxynaphthalene is sourced from PubChem (CID 54181716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).