methyl 2-prop-2-enoxynaphthalene-1-carboxylate

C15H14O3 — CID 118875774

IUPACmethyl 2-prop-2-enoxynaphthalene-1-carboxylate
SMILESC=CCOc1ccc2ccccc2c1C(=O)OC
InChIInChI=1S/C15H14O3/c1-3-10-18-13-9-8-11-6-4-5-7-12(11)14(13)15(16)17-2/h3-9H,1,10H2,2H3
InChIKeyZGXZMKRUHKMALI-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.19
Rot. Bonds4

About methyl 2-prop-2-enoxynaphthalene-1-carboxylate

methyl 2-prop-2-enoxynaphthalene-1-carboxylate (PubChem CID 118875774) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is methyl 2-prop-2-enoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-prop-2-enoxynaphthalene-1-carboxylate
PubChem CID118875774
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namemethyl 2-prop-2-enoxynaphthalene-1-carboxylate
SMILESC=CCOc1ccc2ccccc2c1C(=O)OC
InChIInChI=1S/C15H14O3/c1-3-10-18-13-9-8-11-6-4-5-7-12(11)14(13)15(16)17-2/h3-9H,1,10H2,2H3
InChIKeyZGXZMKRUHKMALI-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate
CID 102438824
methyl 2-decoxynaphthalene-1-carboxylate
CID 118870325
methyl 2,3-difluoro-6-prop-2-enoxybenzoate
CID 170553452
dimethyl picene-13,14-dicarboxylate
CID 101053496
methyl 2-(12-methyltridecoxy)naphthalene-1-carboxylate
CID 118870340
ethane;methyl 4-[2-[(Z)-but-2-enoxy]naphthalen-1-yl]-2-methylidene-4-oxobutanoate
CID 145218810
(E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide
CID 170876678
bis(prop-2-enyl) naphthalene-1,2-dicarboxylate
CID 19710369
methyl 6-bromo-5-prop-2-enoxypyridine-2-carboxylate
CID 23657913
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 2-[(2-hydroxyphenyl)methyl]naphthalene-1-carboxylate
CID 15483504
dimethyl 4-prop-2-enoxybenzene-1,3-dicarboxylate
CID 71377210

Frequently Asked Questions

What is the IUPAC name of methyl 2-prop-2-enoxynaphthalene-1-carboxylate?
The IUPAC name of methyl 2-prop-2-enoxynaphthalene-1-carboxylate (CID 118875774) is methyl 2-prop-2-enoxynaphthalene-1-carboxylate.
What is the SMILES notation for methyl 2-prop-2-enoxynaphthalene-1-carboxylate?
The canonical SMILES for methyl 2-prop-2-enoxynaphthalene-1-carboxylate is C=CCOc1ccc2ccccc2c1C(=O)OC.
What is the InChIKey of methyl 2-prop-2-enoxynaphthalene-1-carboxylate?
The InChIKey is ZGXZMKRUHKMALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-3-10-18-13-9-8-11-6-4-5-7-12(11)14(13)15(16)17-2/h3-9H,1,10H2,2H3.
What are the key properties of methyl 2-prop-2-enoxynaphthalene-1-carboxylate?
methyl 2-prop-2-enoxynaphthalene-1-carboxylate has a molecular weight of 242.27 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-2-enoxynaphthalene-1-carboxylate is sourced from PubChem (CID 118875774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).