2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene]

C15H16O3 — CID 141392583

IUPAC2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene]
SMILESCOC=CC1Cc2ccccc2C2(C1)OC=CO2
InChIInChI=1S/C15H16O3/c1-16-7-6-12-10-13-4-2-3-5-14(13)15(11-12)17-8-9-18-15/h2-9,12H,10-11H2,1H3
InChIKeyMJKVUMWNWSUODV-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.08
Rot. Bonds2

About 2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene]

2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene] (PubChem CID 141392583) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene].

Molecular Properties

Compound Name2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene]
PubChem CID141392583
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene]
SMILESCOC=CC1Cc2ccccc2C2(C1)OC=CO2
InChIInChI=1S/C15H16O3/c1-16-7-6-12-10-13-4-2-3-5-14(13)15(11-12)17-8-9-18-15/h2-9,12H,10-11H2,1H3
InChIKeyMJKVUMWNWSUODV-UHFFFAOYSA-N
XLogP3.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,9R,10S)-13-methoxy-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2,4,6,18-tetraen-12-yl]ethanol
CID 169082177
1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline
CID 70613317
spiro[1,2-dihydroindene-3,2'-1,3-dioxetane]-2-amine
CID 123819052
methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate
CID 11806156
2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane
CID 142155631
11-methyl-10,14-dioxatetracyclo[9.2.1.01,9.02,7]tetradeca-2,4,6-triene
CID 121395463
8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole
CID 21347890
(1R,9S)-13-methoxy-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene
CID 15628560
spiro[1,3-dioxolane-2,4'-2,3-dihydro-1H-isoquinoline]
CID 20703604
2-iodo-3,3-dimethyl-1,2-dihydroindene
CID 70493700
dimethyl (1S,9S)-1-methyltricyclo[7.2.1.02,7]dodeca-2,4,6-triene-11,11-dicarboxylate
CID 71567947
9-methoxy-11-(2-prop-2-enylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene
CID 135004177

Frequently Asked Questions

What is the IUPAC name of 2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene]?
The IUPAC name of 2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene] (CID 141392583) is 2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene].
What is the SMILES notation for 2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene]?
The canonical SMILES for 2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene] is COC=CC1Cc2ccccc2C2(C1)OC=CO2.
What is the InChIKey of 2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene]?
The InChIKey is MJKVUMWNWSUODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-16-7-6-12-10-13-4-2-3-5-14(13)15(11-12)17-8-9-18-15/h2-9,12H,10-11H2,1H3.
What are the key properties of 2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene]?
2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene] has a molecular weight of 244.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2-methoxyethenyl)spiro[1,3-dioxole-2,4'-2,3-dihydro-1H-naphthalene] is sourced from PubChem (CID 141392583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).