(4-propylphenyl) 3-fluorobenzoate

C16H15FO2 — CID 19175128

IUPAC(4-propylphenyl) 3-fluorobenzoate
SMILESCCCc1ccc(OC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H15FO2/c1-2-4-12-7-9-15(10-8-12)19-16(18)13-5-3-6-14(17)11-13/h3,5-11H,2,4H2,1H3
InChIKeyGLZCHZFJSCLBOU-UHFFFAOYSA-N
MW258.29 g/mol
LogP4.00
Rot. Bonds4

About (4-propylphenyl) 3-fluorobenzoate

(4-propylphenyl) 3-fluorobenzoate (PubChem CID 19175128) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is (4-propylphenyl) 3-fluorobenzoate.

Molecular Properties

Compound Name(4-propylphenyl) 3-fluorobenzoate
PubChem CID19175128
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name(4-propylphenyl) 3-fluorobenzoate
SMILESCCCc1ccc(OC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H15FO2/c1-2-4-12-7-9-15(10-8-12)19-16(18)13-5-3-6-14(17)11-13/h3,5-11H,2,4H2,1H3
InChIKeyGLZCHZFJSCLBOU-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-fluorophenyl) 4-butylbenzoate
CID 91723741
phenyl 3-[(4-propylphenoxy)methyl]benzoate
CID 10736361
bis[4-(4-pentylphenoxy)carbonylphenyl] benzene-1,3-dicarboxylate
CID 101117986
[4-(4-propylphenyl)phenyl] 4-propylbenzoate
CID 54214420
(4-ethylphenyl) 3-chlorobenzoate
CID 7314075
bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
(5-fluoronaphthalen-2-yl) 4-propylbenzoate
CID 139854658
(3-fluoro-4-sulfanylphenyl) 4-propylbenzoate
CID 173376214
(4-propylphenyl) 4-bromobenzoate
CID 19184745
[4-(4-fluorobenzoyl)oxyphenyl] 4-pentylbenzoate
CID 71322059
(2,4-difluorophenyl) 4-propylbenzoate
CID 23391163

Frequently Asked Questions

What is the IUPAC name of (4-propylphenyl) 3-fluorobenzoate?
The IUPAC name of (4-propylphenyl) 3-fluorobenzoate (CID 19175128) is (4-propylphenyl) 3-fluorobenzoate.
What is the SMILES notation for (4-propylphenyl) 3-fluorobenzoate?
The canonical SMILES for (4-propylphenyl) 3-fluorobenzoate is CCCc1ccc(OC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of (4-propylphenyl) 3-fluorobenzoate?
The InChIKey is GLZCHZFJSCLBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-2-4-12-7-9-15(10-8-12)19-16(18)13-5-3-6-14(17)11-13/h3,5-11H,2,4H2,1H3.
What are the key properties of (4-propylphenyl) 3-fluorobenzoate?
(4-propylphenyl) 3-fluorobenzoate has a molecular weight of 258.29 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylphenyl) 3-fluorobenzoate is sourced from PubChem (CID 19175128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).