(4-fluoro-3-methylphenyl) propanoate

C10H11FO2 — CID 118592846

IUPAC(4-fluoro-3-methylphenyl) propanoate
SMILESCCC(=O)Oc1ccc(F)c(C)c1
InChIInChI=1S/C10H11FO2/c1-3-10(12)13-8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3
InChIKeyZJQVVEYEZJPGQA-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.45
Rot. Bonds2

About (4-fluoro-3-methylphenyl) propanoate

(4-fluoro-3-methylphenyl) propanoate (PubChem CID 118592846) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl) propanoate.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl) propanoate
PubChem CID118592846
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name(4-fluoro-3-methylphenyl) propanoate
SMILESCCC(=O)Oc1ccc(F)c(C)c1
InChIInChI=1S/C10H11FO2/c1-3-10(12)13-8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3
InChIKeyZJQVVEYEZJPGQA-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.45
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

2-O-(4-fluoro-3-methylphenyl) 1-O-phenyl oxalate
CID 118592918
[3-methyl-4-(2-methylpropyl)phenyl] propanoate
CID 151861053
(4-fluoro-3-methylphenyl) 2,4,6-trimethylbenzoate
CID 118592858
(7-methylnaphthalen-2-yl) propanoate
CID 23046881
2-(4-fluoro-3-methylphenoxy)acetyl chloride
CID 59775204
bis(3,4-difluorophenyl) propanedioate
CID 90195185
ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
CID 83037537
(5-chloro-2-methylphenyl) propanoate
CID 131155608
(4-bromo-3-hydroxyphenyl) propanoate
CID 101452598
[2-[(3,4-dimethylphenoxy)methyl]-3-fluorophenyl] propanoate
CID 122646048
3-(4-fluoro-3-methylphenyl)prop-2-ynyl propanoate
CID 146003499
(4-butyl-3-hydroxyphenyl) propanoate
CID 175351679

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl) propanoate?
The IUPAC name of (4-fluoro-3-methylphenyl) propanoate (CID 118592846) is (4-fluoro-3-methylphenyl) propanoate.
What is the SMILES notation for (4-fluoro-3-methylphenyl) propanoate?
The canonical SMILES for (4-fluoro-3-methylphenyl) propanoate is CCC(=O)Oc1ccc(F)c(C)c1.
What is the InChIKey of (4-fluoro-3-methylphenyl) propanoate?
The InChIKey is ZJQVVEYEZJPGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-3-10(12)13-8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3.
What are the key properties of (4-fluoro-3-methylphenyl) propanoate?
(4-fluoro-3-methylphenyl) propanoate has a molecular weight of 182.19 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl) propanoate is sourced from PubChem (CID 118592846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).