(4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate

C20H14F2O3 — CID 139854089

IUPAC(4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate
SMILESC=CCOc1ccc(OC(=O)c2ccc3cc(F)c(F)cc3c2)cc1
InChIInChI=1S/C20H14F2O3/c1-2-9-24-16-5-7-17(8-6-16)25-20(23)14-4-3-13-11-18(21)19(22)12-15(13)10-14/h2-8,10-12H,1,9H2
InChIKeyKZBWIYUAEBFEDG-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.90
Rot. Bonds5

About (4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate

(4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate (PubChem CID 139854089) has the molecular formula C20H14F2O3 and a molecular weight of 340.33 g/mol. Its IUPAC name is (4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate.

Molecular Properties

Compound Name(4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate
PubChem CID139854089
Molecular FormulaC20H14F2O3
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name(4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate
SMILESC=CCOc1ccc(OC(=O)c2ccc3cc(F)c(F)cc3c2)cc1
InChIInChI=1S/C20H14F2O3/c1-2-9-24-16-5-7-17(8-6-16)25-20(23)14-4-3-13-11-18(21)19(22)12-15(13)10-14/h2-8,10-12H,1,9H2
InChIKeyKZBWIYUAEBFEDG-UHFFFAOYSA-N
XLogP4.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888
[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
CID 18368747
(4-prop-2-enoxyphenyl) 4-methoxybenzoate
CID 71332396
[4-(prop-2-enoyloxymethoxy)phenyl] 6-(4-prop-2-enoxybenzoyl)oxynaphthalene-2-carboxylate
CID 58471406
[3,6,7,10,11-pentakis[(6-prop-2-enoxynaphthalene-2-carbonyl)oxy]triphenylen-2-yl] 6-prop-2-enoxynaphthalene-2-carboxylate
CID 101087654
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate
CID 19853406
prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
CID 90322332
(2-fluoro-4-prop-2-enoxyphenyl) 5,6-difluoronaphthalene-2-carboxylate
CID 139854167
[6-(difluoromethoxy)-5,7-difluoronaphthalen-2-yl] 4-prop-2-enoxybenzoate
CID 139855341
carbon dioxide;(4-methylphenyl) 4-prop-2-enoxybenzoate
CID 123884420
(4-ethenylcyclohexyl) 6,7-difluoronaphthalene-2-carboxylate
CID 139854332
4-oxo-4-[4-(4-prop-2-enoxybenzoyl)oxyphenoxy]butanoic acid
CID 19348973

Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate?
The IUPAC name of (4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate (CID 139854089) is (4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate.
What is the SMILES notation for (4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate?
The canonical SMILES for (4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate is C=CCOc1ccc(OC(=O)c2ccc3cc(F)c(F)cc3c2)cc1.
What is the InChIKey of (4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate?
The InChIKey is KZBWIYUAEBFEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2O3/c1-2-9-24-16-5-7-17(8-6-16)25-20(23)14-4-3-13-11-18(21)19(22)12-15(13)10-14/h2-8,10-12H,1,9H2.
What are the key properties of (4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate?
(4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate has a molecular weight of 340.33 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate is sourced from PubChem (CID 139854089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).