methyl 4-fluoro-3-prop-2-enoxybenzoate

C11H11FO3 — CID 67441936

IUPACmethyl 4-fluoro-3-prop-2-enoxybenzoate
SMILESC=CCOc1cc(C(=O)OC)ccc1F
InChIInChI=1S/C11H11FO3/c1-3-6-15-10-7-8(11(13)14-2)4-5-9(10)12/h3-5,7H,1,6H2,2H3
InChIKeyOIDSLTYRIASMAF-UHFFFAOYSA-N
MW210.20 g/mol
LogP2.18
Rot. Bonds4

About methyl 4-fluoro-3-prop-2-enoxybenzoate

methyl 4-fluoro-3-prop-2-enoxybenzoate (PubChem CID 67441936) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is methyl 4-fluoro-3-prop-2-enoxybenzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-3-prop-2-enoxybenzoate
PubChem CID67441936
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Namemethyl 4-fluoro-3-prop-2-enoxybenzoate
SMILESC=CCOc1cc(C(=O)OC)ccc1F
InChIInChI=1S/C11H11FO3/c1-3-6-15-10-7-8(11(13)14-2)4-5-9(10)12/h3-5,7H,1,6H2,2H3
InChIKeyOIDSLTYRIASMAF-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 4-fluoro-3-prop-2-enoxybenzoate 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

dimethyl 4-prop-2-enoxybenzene-1,3-dicarboxylate
CID 71377210
methyl 4-fluoro-3-(2-methylprop-2-enoxy)benzoate
CID 58566490
methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate
CID 11241748
methyl 3-acetyl-4-prop-2-enoxybenzoate
CID 97033850
methyl 2,3-difluoro-6-prop-2-enoxybenzoate
CID 170553452
methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
CID 86725638
methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate
CID 156828758
4-fluoro-3-prop-2-enoxyphenol
CID 11159544
3-methoxycarbonyl-4-prop-2-enoxybenzoic acid
CID 71429807
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
N-[(E)-1-(4-fluoro-3-prop-2-enoxyphenyl)ethylideneamino]butan-1-amine
CID 142360352

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-3-prop-2-enoxybenzoate?
The IUPAC name of methyl 4-fluoro-3-prop-2-enoxybenzoate (CID 67441936) is methyl 4-fluoro-3-prop-2-enoxybenzoate.
What is the SMILES notation for methyl 4-fluoro-3-prop-2-enoxybenzoate?
The canonical SMILES for methyl 4-fluoro-3-prop-2-enoxybenzoate is C=CCOc1cc(C(=O)OC)ccc1F.
What is the InChIKey of methyl 4-fluoro-3-prop-2-enoxybenzoate?
The InChIKey is OIDSLTYRIASMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-3-6-15-10-7-8(11(13)14-2)4-5-9(10)12/h3-5,7H,1,6H2,2H3.
What are the key properties of methyl 4-fluoro-3-prop-2-enoxybenzoate?
methyl 4-fluoro-3-prop-2-enoxybenzoate has a molecular weight of 210.20 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-3-prop-2-enoxybenzoate is sourced from PubChem (CID 67441936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).