2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene

C22H18F2O2 — CID 139863491

IUPAC2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene
SMILESC=CCOc1ccc(C(F)=C(F)c2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C22H18F2O2/c1-3-12-26-19-9-6-15(7-10-19)21(23)22(24)18-5-4-17-14-20(25-2)11-8-16(17)13-18/h3-11,13-14H,1,12H2,2H3
InChIKeyOWAHRZXEVSVYRF-UHFFFAOYSA-N
MW352.38 g/mol
LogP6.18
Rot. Bonds6

About 2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene

2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene (PubChem CID 139863491) has the molecular formula C22H18F2O2 and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene.

Molecular Properties

Compound Name2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene
PubChem CID139863491
Molecular FormulaC22H18F2O2
Molecular Weight352.38 g/mol
Exact Mass352.13
IUPAC Name2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene
SMILESC=CCOc1ccc(C(F)=C(F)c2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C22H18F2O2/c1-3-12-26-19-9-6-15(7-10-19)21(23)22(24)18-5-4-17-14-20(25-2)11-8-16(17)13-18/h3-11,13-14H,1,12H2,2H3
InChIKeyOWAHRZXEVSVYRF-UHFFFAOYSA-N
XLogP6.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.38
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
CID 18368747
(4-prop-2-enoxyphenyl) 4-methoxybenzoate
CID 71332396
4-[(E)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-1,2-difluorobenzene
CID 139790694
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate
CID 19853406
prop-2-enyl 6-prop-2-enoxynaphthalene-2-carboxylate
CID 90322332
3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one
CID 11558906
(4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate
CID 139854089
6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene
CID 139862919
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide
CID 54790188
1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 75849823
3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)prop-2-yn-1-one
CID 10448798
(4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium
CID 8636099

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene?
The IUPAC name of 2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene (CID 139863491) is 2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene.
What is the SMILES notation for 2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene?
The canonical SMILES for 2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene is C=CCOc1ccc(C(F)=C(F)c2ccc3cc(OC)ccc3c2)cc1.
What is the InChIKey of 2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene?
The InChIKey is OWAHRZXEVSVYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2O2/c1-3-12-26-19-9-6-15(7-10-19)21(23)22(24)18-5-4-17-14-20(25-2)11-8-16(17)13-18/h3-11,13-14H,1,12H2,2H3.
What are the key properties of 2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene?
2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene has a molecular weight of 352.38 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene is sourced from PubChem (CID 139863491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).