(4-fluorophenyl) 3-(4-methylphenyl)propanoate

C16H15FO2 — CID 19220615

IUPAC(4-fluorophenyl) 3-(4-methylphenyl)propanoate
SMILESCc1ccc(CCC(=O)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO2/c1-12-2-4-13(5-3-12)6-11-16(18)19-15-9-7-14(17)8-10-15/h2-5,7-10H,6,11H2,1H3
InChIKeyAESHGRFBBMGKBN-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.67
Rot. Bonds4

About (4-fluorophenyl) 3-(4-methylphenyl)propanoate

(4-fluorophenyl) 3-(4-methylphenyl)propanoate (PubChem CID 19220615) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is (4-fluorophenyl) 3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Name(4-fluorophenyl) 3-(4-methylphenyl)propanoate
PubChem CID19220615
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name(4-fluorophenyl) 3-(4-methylphenyl)propanoate
SMILESCc1ccc(CCC(=O)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO2/c1-12-2-4-13(5-3-12)6-11-16(18)19-15-9-7-14(17)8-10-15/h2-5,7-10H,6,11H2,1H3
InChIKeyAESHGRFBBMGKBN-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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

(4-fluorophenyl) 3-phenylpropanoate
CID 562084
bis(4-methylphenyl) butanedioate
CID 14740597
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate
CID 67181950
bis(4-methylphenyl) hexanedioate
CID 521615
(4-methylphenyl) 3-(3-methoxyphenyl)propanoate
CID 78829897
[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
CID 19221101
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
[4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate
CID 35624176
(2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate
CID 19220587
(3-methylphenyl) 2-[3-(4-fluorophenyl)propanoylamino]acetate
CID 110670442
(2-tert-butyl-4-methoxyphenyl) 3-(4-fluorophenyl)propanoate
CID 135369086

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 3-(4-methylphenyl)propanoate?
The IUPAC name of (4-fluorophenyl) 3-(4-methylphenyl)propanoate (CID 19220615) is (4-fluorophenyl) 3-(4-methylphenyl)propanoate.
What is the SMILES notation for (4-fluorophenyl) 3-(4-methylphenyl)propanoate?
The canonical SMILES for (4-fluorophenyl) 3-(4-methylphenyl)propanoate is Cc1ccc(CCC(=O)Oc2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl) 3-(4-methylphenyl)propanoate?
The InChIKey is AESHGRFBBMGKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-12-2-4-13(5-3-12)6-11-16(18)19-15-9-7-14(17)8-10-15/h2-5,7-10H,6,11H2,1H3.
What are the key properties of (4-fluorophenyl) 3-(4-methylphenyl)propanoate?
(4-fluorophenyl) 3-(4-methylphenyl)propanoate has a molecular weight of 258.29 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 3-(4-methylphenyl)propanoate is sourced from PubChem (CID 19220615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).