6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene

C17H16O2 — CID 71425131

IUPAC6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene
SMILESC#CCOc1ccc2cc(OC)ccc2c1CC=C
InChIInChI=1S/C17H16O2/c1-4-6-16-15-9-8-14(18-3)12-13(15)7-10-17(16)19-11-5-2/h2,4,7-10,12H,1,6,11H2,3H3
InChIKeyUNJWDUOQSMEIJD-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.59
Rot. Bonds5

About 6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene

6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene (PubChem CID 71425131) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene.

Molecular Properties

Compound Name6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene
PubChem CID71425131
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene
SMILESC#CCOc1ccc2cc(OC)ccc2c1CC=C
InChIInChI=1S/C17H16O2/c1-4-6-16-15-9-8-14(18-3)12-13(15)7-10-17(16)19-11-5-2/h2,4,7-10,12H,1,6,11H2,3H3
InChIKeyUNJWDUOQSMEIJD-UHFFFAOYSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enyl-2-prop-2-ynoxynaphthalene
CID 71425133
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene
CID 129010804
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
5-methoxy-2-methyl-3-prop-2-enyl-1H-indole
CID 156558108
6-phenyl-1-(6-phenyl-2-prop-2-ynoxynaphthalen-1-yl)-2-prop-2-ynoxynaphthalene
CID 141246680
5-methoxy-2-prop-2-ynoxybenzamide
CID 75485081
6-methoxy-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1-prop-2-enylnaphthalene
CID 163603106
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
5-[(5-methoxy-2-prop-2-ynoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600062
(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
CID 126116692

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene?
The IUPAC name of 6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene (CID 71425131) is 6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene.
What is the SMILES notation for 6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene?
The canonical SMILES for 6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene is C#CCOc1ccc2cc(OC)ccc2c1CC=C.
What is the InChIKey of 6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene?
The InChIKey is UNJWDUOQSMEIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-4-6-16-15-9-8-14(18-3)12-13(15)7-10-17(16)19-11-5-2/h2,4,7-10,12H,1,6,11H2,3H3.
What are the key properties of 6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene?
6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene has a molecular weight of 252.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-prop-2-enyl-2-prop-2-ynoxynaphthalene is sourced from PubChem (CID 71425131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).