ethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate

C15H17FO3 — CID 58566534

IUPACethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate
SMILESCCCc1c(C#CC(=O)OCC)ccc(OC)c1F
InChIInChI=1S/C15H17FO3/c1-4-6-12-11(8-10-14(17)19-5-2)7-9-13(18-3)15(12)16/h7,9H,4-6H2,1-3H3
InChIKeyDLSOISAHKFLPCF-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.70
Rot. Bonds4

About ethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate

ethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate (PubChem CID 58566534) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is ethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate.

Molecular Properties

Compound Nameethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate
PubChem CID58566534
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Nameethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate
SMILESCCCc1c(C#CC(=O)OCC)ccc(OC)c1F
InChIInChI=1S/C15H17FO3/c1-4-6-12-11(8-10-14(17)19-5-2)7-9-13(18-3)15(12)16/h7,9H,4-6H2,1-3H3
InChIKeyDLSOISAHKFLPCF-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2,3-difluoro-4-methylphenyl)prop-2-ynoate
CID 107514271
ethyl 3-(2-amino-4-methoxyphenyl)prop-2-ynoate
CID 165458923
ethyl 3-(4-hydroxy-2-methylphenyl)prop-2-ynoate
CID 165451931
ethyl (E)-3-(2-ethyl-3-fluoro-4-methoxyphenyl)prop-2-enoate
CID 58566362
ethyl 2-amino-3-(6-chloro-2-fluoro-3-methoxyphenyl)propanoate
CID 170885238
ethyl 2-amino-3-(2,3-difluoro-6-methoxyphenyl)propanoate
CID 170885225
ethyl 3-(2-methoxy-3-pyridinyl)prop-2-ynoate
CID 130543278
ethyl 2-(3-cyano-2,6-dimethoxyphenyl)acetate
CID 134655715
ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117367196
ethyl 3-[2-(trifluoromethyl)phenyl]prop-2-ynoate
CID 53434762
ethyl 2-[3-cyano-2-(difluoromethyl)-6-methoxyphenyl]acetate
CID 134654469
ethyl 2-amino-3-fluoro-4-methoxybenzoate
CID 54595933

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate?
The IUPAC name of ethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate (CID 58566534) is ethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate.
What is the SMILES notation for ethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate?
The canonical SMILES for ethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate is CCCc1c(C#CC(=O)OCC)ccc(OC)c1F.
What is the InChIKey of ethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate?
The InChIKey is DLSOISAHKFLPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c1-4-6-12-11(8-10-14(17)19-5-2)7-9-13(18-3)15(12)16/h7,9H,4-6H2,1-3H3.
What are the key properties of ethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate?
ethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate has a molecular weight of 264.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-fluoro-4-methoxy-2-propylphenyl)prop-2-ynoate is sourced from PubChem (CID 58566534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).