1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate

C16H13FO3 — CID 54402666

IUPAC1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate
SMILESC=CC(OC=O)c1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C16H13FO3/c1-2-15(19-11-18)12-8-9-14(17)16(10-12)20-13-6-4-3-5-7-13/h2-11,15H,1H2
InChIKeyVONOCQOEXMIKTC-UHFFFAOYSA-N
MW272.27 g/mol
LogP4.02
Rot. Bonds6

About 1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate

1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate (PubChem CID 54402666) has the molecular formula C16H13FO3 and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate.

Molecular Properties

Compound Name1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate
PubChem CID54402666
Molecular FormulaC16H13FO3
Molecular Weight272.27 g/mol
Exact Mass272.08
IUPAC Name1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate
SMILESC=CC(OC=O)c1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C16H13FO3/c1-2-15(19-11-18)12-8-9-14(17)16(10-12)20-13-6-4-3-5-7-13/h2-11,15H,1H2
InChIKeyVONOCQOEXMIKTC-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde
CID 13368776
4-(3-chloroprop-1-enyl)-1-fluoro-2-phenoxybenzene;1-(4-fluoro-3-phenoxyphenyl)prop-2-en-1-ol
CID 67905375
1-fluoro-2-phenoxy-4-prop-2-enylbenzene
CID 11075159
[4-(1-formyloxyprop-2-enyl)phenyl] formate
CID 22894823
1-fluoro-2-phenoxy-4-[4-(4-prop-2-enoxyphenyl)hex-5-enyl]benzene
CID 139633611
4-[4-[4-(difluoromethoxy)phenyl]hex-5-enyl]-1-fluoro-2-phenoxybenzene
CID 70412122
[(S)-cyano-(4-fluoro-3-phenoxyphenyl)methyl] acetate
CID 10107984
bis(4-fluoro-3-phenoxyphenyl)methanone
CID 67872405
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309
1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene
CID 54021314
4-[1-cyclopropyl-2-[1-cyclopropyl-2-(4-fluoro-3-phenoxyphenyl)-1-(4-fluorophenyl)propan-2-yl]oxy-1-(4-fluorophenyl)propan-2-yl]-1-fluoro-2-phenoxybenzene
CID 174326708
1-[cyano-(4-fluoro-3-phenoxyphenyl)methyl]-3-(2,2-dichloroethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56999084

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate?
The IUPAC name of 1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate (CID 54402666) is 1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate.
What is the SMILES notation for 1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate?
The canonical SMILES for 1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate is C=CC(OC=O)c1ccc(F)c(Oc2ccccc2)c1.
What is the InChIKey of 1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate?
The InChIKey is VONOCQOEXMIKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-2-15(19-11-18)12-8-9-14(17)16(10-12)20-13-6-4-3-5-7-13/h2-11,15H,1H2.
What are the key properties of 1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate?
1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate has a molecular weight of 272.27 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-phenoxyphenyl)prop-2-enyl formate is sourced from PubChem (CID 54402666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).