2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene

C23H24O3 — CID 2283204

IUPAC2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene
SMILESC=CCc1ccc(OCCCOc2ccc3ccccc3c2)c(OC)c1
InChIInChI=1S/C23H24O3/c1-3-7-18-10-13-22(23(16-18)24-2)26-15-6-14-25-21-12-11-19-8-4-5-9-20(19)17-21/h3-5,8-13,16-17H,1,6-7,14-15H2,2H3
InChIKeyFMXGWACFPDMFRM-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.42
Rot. Bonds9

About 2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene

2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene (PubChem CID 2283204) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene.

Molecular Properties

Compound Name2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene
PubChem CID2283204
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene
SMILESC=CCc1ccc(OCCCOc2ccc3ccccc3c2)c(OC)c1
InChIInChI=1S/C23H24O3/c1-3-7-18-10-13-22(23(16-18)24-2)26-15-6-14-25-21-12-11-19-8-4-5-9-20(19)17-21/h3-5,8-13,16-17H,1,6-7,14-15H2,2H3
InChIKeyFMXGWACFPDMFRM-UHFFFAOYSA-N
XLogP5.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2899492
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
1-[3-(4-chloro-2-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2284434
1-[3-(2-chloro-4-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2282941
2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene
CID 2289173
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene
CID 54397178
2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile
CID 112828122

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene?
The IUPAC name of 2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene (CID 2283204) is 2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene.
What is the SMILES notation for 2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene?
The canonical SMILES for 2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene is C=CCc1ccc(OCCCOc2ccc3ccccc3c2)c(OC)c1.
What is the InChIKey of 2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene?
The InChIKey is FMXGWACFPDMFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-3-7-18-10-13-22(23(16-18)24-2)26-15-6-14-25-21-12-11-19-8-4-5-9-20(19)17-21/h3-5,8-13,16-17H,1,6-7,14-15H2,2H3.
What are the key properties of 2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene?
2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene has a molecular weight of 348.44 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene is sourced from PubChem (CID 2283204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).