methyl 2-(3-butyl-4-fluorophenyl)propanoate

C14H19FO2 — CID 71167855

IUPACmethyl 2-(3-butyl-4-fluorophenyl)propanoate
SMILESCCCCc1cc(C(C)C(=O)OC)ccc1F
InChIInChI=1S/C14H19FO2/c1-4-5-6-12-9-11(7-8-13(12)15)10(2)14(16)17-3/h7-10H,4-6H2,1-3H3
InChIKeyBICCMNHMJJXRGB-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.44
Rot. Bonds5

About methyl 2-(3-butyl-4-fluorophenyl)propanoate

methyl 2-(3-butyl-4-fluorophenyl)propanoate (PubChem CID 71167855) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is methyl 2-(3-butyl-4-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-butyl-4-fluorophenyl)propanoate
PubChem CID71167855
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Namemethyl 2-(3-butyl-4-fluorophenyl)propanoate
SMILESCCCCc1cc(C(C)C(=O)OC)ccc1F
InChIInChI=1S/C14H19FO2/c1-4-5-6-12-9-11(7-8-13(12)15)10(2)14(16)17-3/h7-10H,4-6H2,1-3H3
InChIKeyBICCMNHMJJXRGB-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-N-[(1S)-1-(3-butyl-4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 166501091
methyl 2-(4-propylphenyl)propanoate
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methyl 2-(4-pentoxyphenyl)propanoate
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methyl 2-(6-fluoronaphthalen-2-yl)propanoate
CID 70591707
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate
CID 124640418
3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol
CID 117286425
methyl (2R)-2-[2-(2,5-difluorophenyl)ethylamino]butanoate
CID 129402328
methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate
CID 58973658
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
methyl 2-[4-(4-acetyloxyphenyl)-3-fluorophenyl]propanoate
CID 18693708
methyl 2-(6-methylsulfanylnaphthalen-2-yl)propanoate
CID 21412612

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-butyl-4-fluorophenyl)propanoate?
The IUPAC name of methyl 2-(3-butyl-4-fluorophenyl)propanoate (CID 71167855) is methyl 2-(3-butyl-4-fluorophenyl)propanoate.
What is the SMILES notation for methyl 2-(3-butyl-4-fluorophenyl)propanoate?
The canonical SMILES for methyl 2-(3-butyl-4-fluorophenyl)propanoate is CCCCc1cc(C(C)C(=O)OC)ccc1F.
What is the InChIKey of methyl 2-(3-butyl-4-fluorophenyl)propanoate?
The InChIKey is BICCMNHMJJXRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-4-5-6-12-9-11(7-8-13(12)15)10(2)14(16)17-3/h7-10H,4-6H2,1-3H3.
What are the key properties of methyl 2-(3-butyl-4-fluorophenyl)propanoate?
methyl 2-(3-butyl-4-fluorophenyl)propanoate has a molecular weight of 238.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-butyl-4-fluorophenyl)propanoate is sourced from PubChem (CID 71167855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).