[3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate

C12H13FO3 — CID 150618914

IUPAC[3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(O)Cc1ccc(F)cc1
InChIInChI=1S/C12H13FO3/c1-2-12(15)16-8-11(14)7-9-3-5-10(13)6-4-9/h2-6,11,14H,1,7-8H2
InChIKeyIVMCTVJIIAVLFT-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.46
Rot. Bonds5

About [3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate

[3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate (PubChem CID 150618914) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate
PubChem CID150618914
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name[3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(O)Cc1ccc(F)cc1
InChIInChI=1S/C12H13FO3/c1-2-12(15)16-8-11(14)7-9-3-5-10(13)6-4-9/h2-6,11,14H,1,7-8H2
InChIKeyIVMCTVJIIAVLFT-UHFFFAOYSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Phenylethyl lactate
CID 21115836
Goniodiol
CID 180702
(5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one
CID 10998863
Goniobutenolide A
CID 11770317
2-Propenoic acid, 2-phenylethyl ester
CID 77066
3-Hydroxy-4-phenyl-2(5H)-furanone
CID 10856006
(2R)-2-[(1S,2R)-1,2-dihydroxy-2-phenylethyl]-2,3-dihydropyran-6-one
CID 11356744
(+)-Goniotriol
CID 125950
1,2-Ethanediol, 1-phenyl-, 2-acetate
CID 112062
(5Z)-5-[(2S,3S)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one
CID 10421437
(2S)-3-hydroxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 118722978
8-Methoxygoniodiol
CID 637248

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate?
The IUPAC name of [3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate (CID 150618914) is [3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate.
What is the SMILES notation for [3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate?
The canonical SMILES for [3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate is C=CC(=O)OCC(O)Cc1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate?
The InChIKey is IVMCTVJIIAVLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-2-12(15)16-8-11(14)7-9-3-5-10(13)6-4-9/h2-6,11,14H,1,7-8H2.
What are the key properties of [3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate?
[3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate has a molecular weight of 224.23 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-2-hydroxypropyl] prop-2-enoate is sourced from PubChem (CID 150618914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).