2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene

C21H20O2 — CID 139863903

IUPAC2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(-c3ccc(OCC)cc3)ccc2c1
InChIInChI=1S/C21H20O2/c1-3-13-23-21-12-9-18-14-17(5-6-19(18)15-21)16-7-10-20(11-8-16)22-4-2/h3,5-12,14-15H,1,4,13H2,2H3
InChIKeyCNLVSCDEBFLXBF-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.47
Rot. Bonds6

About 2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene

2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene (PubChem CID 139863903) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene
PubChem CID139863903
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(-c3ccc(OCC)cc3)ccc2c1
InChIInChI=1S/C21H20O2/c1-3-13-23-21-12-9-18-14-17(5-6-19(18)15-21)16-7-10-20(11-8-16)22-4-2/h3,5-12,14-15H,1,4,13H2,2H3
InChIKeyCNLVSCDEBFLXBF-UHFFFAOYSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.47
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

2,6-diethoxyanthracene
CID 12651989
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
5-(6-ethoxynaphthalen-2-yl)-2-hydroxybenzaldehyde
CID 122358652
2-ethoxynaphthalene
CID 118978197
4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770219
(E)-7-[4-(6-prop-2-enoxynaphthalen-2-yl)phenyl]hept-6-en-2-ol
CID 70264367
2-(6-ethoxynaphthalen-2-yl)-9,9-dimethylfluorene
CID 134294373
2-(4-but-2-enoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139856089
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
2-[6-(2-carboxy-5-prop-2-enoxyphenyl)naphthalen-2-yl]-4-prop-2-enoxybenzoic acid
CID 69100488

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene?
The IUPAC name of 2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene (CID 139863903) is 2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene.
What is the SMILES notation for 2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene?
The canonical SMILES for 2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene is C=CCOc1ccc2cc(-c3ccc(OCC)cc3)ccc2c1.
What is the InChIKey of 2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene?
The InChIKey is CNLVSCDEBFLXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-3-13-23-21-12-9-18-14-17(5-6-19(18)15-21)16-7-10-20(11-8-16)22-4-2/h3,5-12,14-15H,1,4,13H2,2H3.
What are the key properties of 2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene?
2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene has a molecular weight of 304.39 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene is sourced from PubChem (CID 139863903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).