[4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate

C12H13FO4 — CID 11264939

IUPAC[4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(/C=C(\F)CO)ccc1OC(C)=O
InChIInChI=1S/C12H13FO4/c1-8(15)17-11-4-3-9(5-10(13)7-14)6-12(11)16-2/h3-6,14H,7H2,1-2H3/b10-5-
InChIKeyROAYGWRERPWBDZ-YHYXMXQVSA-N
MW240.23 g/mol
LogP1.92
Rot. Bonds4

About [4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate

[4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate (PubChem CID 11264939) has the molecular formula C12H13FO4 and a molecular weight of 240.23 g/mol. Its IUPAC name is [4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate
PubChem CID11264939
Molecular FormulaC12H13FO4
Molecular Weight240.23 g/mol
Exact Mass240.08
IUPAC Name[4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(/C=C(\F)CO)ccc1OC(C)=O
InChIInChI=1S/C12H13FO4/c1-8(15)17-11-4-3-9(5-10(13)7-14)6-12(11)16-2/h3-6,14H,7H2,1-2H3/b10-5-
InChIKeyROAYGWRERPWBDZ-YHYXMXQVSA-N
XLogP1.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-methoxy-4-(2-nitroprop-1-enyl)phenyl] acetate
CID 4223737
[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate
CID 4619738
3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate
CID 613644
[4-[(E)-3-chloro-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 10858041
methyl (E)-3-(4-acetyloxy-3-methoxyphenyl)-2-cyanoprop-2-enoate
CID 796992
methyl 3-(4-acetyloxy-3-methoxyphenyl)-2-phenylprop-2-enoate
CID 131854961
[4-[(E,3E)-3-hydroxyiminoprop-1-enyl]-2-methoxyphenyl] acetate
CID 14578558
[2-methoxy-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl] acetate
CID 70411359
[4-(3,4-dimethoxyphenyl)sulfanyl-2-methoxyphenyl] acetate
CID 122520347
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
[2-methoxy-4-[(E)-4-nitropent-1-enyl]phenyl] acetate
CID 13436227
[4-[[5-[(4-acetyloxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-2-methoxyphenyl] acetate
CID 1381563

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate (CID 11264939) is [4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate is COc1cc(/C=C(\F)CO)ccc1OC(C)=O.
What is the InChIKey of [4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate?
The InChIKey is ROAYGWRERPWBDZ-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H13FO4/c1-8(15)17-11-4-3-9(5-10(13)7-14)6-12(11)16-2/h3-6,14H,7H2,1-2H3/b10-5-.
What are the key properties of [4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate?
[4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate has a molecular weight of 240.23 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 11264939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).