methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate

C13H17FO3 — CID 112508521

IUPACmethyl 2-(3-fluoro-4-methoxyphenyl)pentanoate
SMILESCCCC(C(=O)OC)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H17FO3/c1-4-5-10(13(15)17-3)9-6-7-12(16-2)11(14)8-9/h6-8,10H,4-5H2,1-3H3
InChIKeyZGFPBACTFIPPMN-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.89
Rot. Bonds5

About methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate

methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate (PubChem CID 112508521) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-4-methoxyphenyl)pentanoate
PubChem CID112508521
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Namemethyl 2-(3-fluoro-4-methoxyphenyl)pentanoate
SMILESCCCC(C(=O)OC)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H17FO3/c1-4-5-10(13(15)17-3)9-6-7-12(16-2)11(14)8-9/h6-8,10H,4-5H2,1-3H3
InChIKeyZGFPBACTFIPPMN-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-(3-fluoro-4-methoxyphenyl)propanedioate
CID 62795748
methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
CID 171201488
methyl 2-(4-ethoxy-3-fluorophenyl)butanoate
CID 116964396
3-amino-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 82394258
ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171865985
N-[1-(3-fluoro-4-methoxyphenyl)-2-hydroxyethyl]propanamide
CID 163636130
4-(dimethylamino)-2-(3-fluoro-4-methoxyphenyl)butanoic acid
CID 112509040
ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate
CID 65096691
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine
CID 115845654
3-amino-3-(3-fluoro-4-methoxyphenyl)propanehydrazide
CID 116848734

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate?
The IUPAC name of methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate (CID 112508521) is methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate.
What is the SMILES notation for methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate?
The canonical SMILES for methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate is CCCC(C(=O)OC)c1ccc(OC)c(F)c1.
What is the InChIKey of methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate?
The InChIKey is ZGFPBACTFIPPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-4-5-10(13(15)17-3)9-6-7-12(16-2)11(14)8-9/h6-8,10H,4-5H2,1-3H3.
What are the key properties of methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate?
methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate has a molecular weight of 240.27 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate is sourced from PubChem (CID 112508521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).