2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate

C19H19FO3 — CID 170048837

IUPAC2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate
SMILESC=Cc1ccc(OC)c(C(=O)OC(C)(C)c2ccc(F)cc2)c1
InChIInChI=1S/C19H19FO3/c1-5-13-6-11-17(22-4)16(12-13)18(21)23-19(2,3)14-7-9-15(20)10-8-14/h5-12H,1H2,2-4H3
InChIKeyVWCORIFCUPZJPH-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.57
Rot. Bonds5

About 2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate

2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate (PubChem CID 170048837) has the molecular formula C19H19FO3 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate.

Molecular Properties

Compound Name2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate
PubChem CID170048837
Molecular FormulaC19H19FO3
Molecular Weight314.36 g/mol
Exact Mass314.13
IUPAC Name2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate
SMILESC=Cc1ccc(OC)c(C(=O)OC(C)(C)c2ccc(F)cc2)c1
InChIInChI=1S/C19H19FO3/c1-5-13-6-11-17(22-4)16(12-13)18(21)23-19(2,3)14-7-9-15(20)10-8-14/h5-12H,1H2,2-4H3
InChIKeyVWCORIFCUPZJPH-UHFFFAOYSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-ethenyl-2-methoxybenzoate
CID 155289029
ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
tert-butyl 5-ethenyl-2-(2,3,4,5,6-pentafluorophenoxy)benzoate
CID 167270724
tert-butyl 2-ethenoxy-5-fluorobenzoate
CID 171935000
5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide
CID 166667390
methyl 5-ethenyl-2-methylbenzoate
CID 10702422
4-ethenyl-1,2-dimethoxybenzene
CID 159733418
1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566511
(E)-1-(5-fluoro-2-methoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 25486909
N-(4-ethenylbenzoyl)-2-methoxybenzamide
CID 139609261
(4-formyl-2-methoxyphenyl) 4-fluorobenzoate
CID 766120
[5-[2-[2-(4-fluorophenyl)propan-2-yloxy]-2-oxoethoxy]carbonyl-2-methoxyphenyl]-diphenylsulfanium
CID 169017299

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate?
The IUPAC name of 2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate (CID 170048837) is 2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate.
What is the SMILES notation for 2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate?
The canonical SMILES for 2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate is C=Cc1ccc(OC)c(C(=O)OC(C)(C)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate?
The InChIKey is VWCORIFCUPZJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO3/c1-5-13-6-11-17(22-4)16(12-13)18(21)23-19(2,3)14-7-9-15(20)10-8-14/h5-12H,1H2,2-4H3.
What are the key properties of 2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate?
2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate has a molecular weight of 314.36 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate is sourced from PubChem (CID 170048837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).