ethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate

C18H19FO4 — CID 90424026

IUPACethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate
SMILESCCCOc1cc(C(=O)OCC)cc(O)c1-c1ccc(F)cc1
InChIInChI=1S/C18H19FO4/c1-3-9-23-16-11-13(18(21)22-4-2)10-15(20)17(16)12-5-7-14(19)8-6-12/h5-8,10-11,20H,3-4,9H2,1-2H3
InChIKeyXYUOWCXIVONMHW-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.16
Rot. Bonds6

About ethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate

ethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate (PubChem CID 90424026) has the molecular formula C18H19FO4 and a molecular weight of 318.34 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate
PubChem CID90424026
Molecular FormulaC18H19FO4
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Nameethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate
SMILESCCCOc1cc(C(=O)OCC)cc(O)c1-c1ccc(F)cc1
InChIInChI=1S/C18H19FO4/c1-3-9-23-16-11-13(18(21)22-4-2)10-15(20)17(16)12-5-7-14(19)8-6-12/h5-8,10-11,20H,3-4,9H2,1-2H3
InChIKeyXYUOWCXIVONMHW-UHFFFAOYSA-N
XLogP4.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate 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

propyl 3,4-dihydroxy-5-propoxybenzoate
CID 123862467
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 4-bromo-3-methyl-5-propoxybenzoate
CID 134593928
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908
3-(4-fluorophenyl)-4-propoxybenzoic acid
CID 134391719
ethyl 3,4-bis(4-fluorophenyl)-1H-pyrrole-2-carboxylate
CID 14498216
ethyl 3,4,5-tridodecoxybenzoate;ethyl 3,4,5-trihydroxybenzoate
CID 159904194
ethyl 4-amino-3,5-dihydroxybenzoate
CID 130058658
diethyl 3,6-bis(4-fluorophenyl)thieno[3,2-b]thiophene-2,5-dicarboxylate
CID 134386122
ethyl 3-bromo-4-fluoro-5-hydroxybenzoate
CID 131014971
ethyl 4-bromo-3-fluoro-5-hydroxybenzoate
CID 131124712

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate (CID 90424026) is ethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate is CCCOc1cc(C(=O)OCC)cc(O)c1-c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate?
The InChIKey is XYUOWCXIVONMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO4/c1-3-9-23-16-11-13(18(21)22-4-2)10-15(20)17(16)12-5-7-14(19)8-6-12/h5-8,10-11,20H,3-4,9H2,1-2H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate?
ethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate has a molecular weight of 318.34 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-3-hydroxy-5-propoxybenzoate is sourced from PubChem (CID 90424026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).