methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate

C13H17FO3 — CID 169128266

IUPACmethyl 5-(3-fluoro-5-methoxyphenyl)pentanoate
SMILESCOC(=O)CCCCc1cc(F)cc(OC)c1
InChIInChI=1S/C13H17FO3/c1-16-12-8-10(7-11(14)9-12)5-3-4-6-13(15)17-2/h7-9H,3-6H2,1-2H3
InChIKeyKHISODOXKFJXPN-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.72
Rot. Bonds6

About methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate

methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate (PubChem CID 169128266) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(3-fluoro-5-methoxyphenyl)pentanoate
PubChem CID169128266
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Namemethyl 5-(3-fluoro-5-methoxyphenyl)pentanoate
SMILESCOC(=O)CCCCc1cc(F)cc(OC)c1
InChIInChI=1S/C13H17FO3/c1-16-12-8-10(7-11(14)9-12)5-3-4-6-13(15)17-2/h7-9H,3-6H2,1-2H3
InChIKeyKHISODOXKFJXPN-UHFFFAOYSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(3-fluoro-5-methoxyphenyl)propanoate
CID 68895290
ethyl 5-(3,5-dimethoxyphenyl)pentanoate
CID 66889380
methyl 4-[2-(3,5-difluorophenyl)ethylamino]butanoate
CID 62615955
8-(3,5-dimethoxyphenyl)octanoic acid
CID 14427818
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
methyl 6-amino-6-(2,6-difluoro-4-methoxyphenyl)hexanoate
CID 60964960
CID 145100572
CID 145100572
methyl 7-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]heptanoate
CID 139937357
methyl 3-[3-fluoro-5-(1-formyloxyethyl)phenyl]propanoate
CID 175573916
methyl 4-[4-(4-fluorobenzoyl)phenyl]butanoate
CID 10756621
(2S)-2-amino-N-[7-(3-fluoro-5-methoxyphenyl)-4-hydroxy-5-oxoheptan-3-yl]-4-methylpentanamide
CID 159945430
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate?
The IUPAC name of methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate (CID 169128266) is methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate.
What is the SMILES notation for methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate?
The canonical SMILES for methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate is COC(=O)CCCCc1cc(F)cc(OC)c1.
What is the InChIKey of methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate?
The InChIKey is KHISODOXKFJXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-16-12-8-10(7-11(14)9-12)5-3-4-6-13(15)17-2/h7-9H,3-6H2,1-2H3.
What are the key properties of methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate?
methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate has a molecular weight of 240.27 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate is sourced from PubChem (CID 169128266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).