methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate

C10H9FO3 — CID 82017646

IUPACmethyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate
SMILESCOC(=O)/C=C(\O)c1cccc(F)c1
InChIInChI=1S/C10H9FO3/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-6,12H,1H3/b9-6-
InChIKeyLEKHVDUCRSVOKW-TWGQIWQCSA-N
MW196.18 g/mol
LogP1.90
Rot. Bonds2

About methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate

methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate (PubChem CID 82017646) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate
PubChem CID82017646
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Namemethyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate
SMILESCOC(=O)/C=C(\O)c1cccc(F)c1
InChIInChI=1S/C10H9FO3/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-6,12H,1H3/b9-6-
InChIKeyLEKHVDUCRSVOKW-TWGQIWQCSA-N
XLogP1.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-fluorophenyl)-4-hydroxy-2-oxobut-3-enoic acid
CID 85213230
methyl 3-fluorobenzoate
CID 521184
methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate
CID 82017652
ethyl (Z)-3-(3-fluorophenyl)-3-methoxyprop-2-enoate
CID 122235883
2-(3-fluorophenyl)but-2-enoic acid
CID 67719232
methyl (E)-3-phenylbut-2-enoate
CID 5354835
methyl (Z)-3-hydroxy-3-(2,4,5-trifluorophenyl)prop-2-enoate
CID 164845102
methyl 3-hydroxy-3-(2,4,5-trifluorophenyl)prop-2-enoate
CID 167667033
methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate
CID 102028983
methyl (E)-3-(2-aminophenyl)-2-(3-fluorophenyl)prop-2-enoate
CID 10852277
3-fluoro-N-hydroxybenzamide
CID 5082377
methyl (E)-3-amino-3-(4-fluorophenyl)prop-2-enoate
CID 67214792

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate?
The IUPAC name of methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate (CID 82017646) is methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate?
The canonical SMILES for methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate is COC(=O)/C=C(\O)c1cccc(F)c1.
What is the InChIKey of methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate?
The InChIKey is LEKHVDUCRSVOKW-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H9FO3/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-6,12H,1H3/b9-6-.
What are the key properties of methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate?
methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate has a molecular weight of 196.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate is sourced from PubChem (CID 82017646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).