2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid

C23H27FO4 — CID 139317009

IUPAC2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid
SMILESCc1ccc(OC2CCCC(c3ccc(CCOCC(=O)O)cc3)C2)cc1F
InChIInChI=1S/C23H27FO4/c1-16-5-10-21(14-22(16)24)28-20-4-2-3-19(13-20)18-8-6-17(7-9-18)11-12-27-15-23(25)26/h5-10,14,19-20H,2-4,11-13,15H2,1H3,(H,25,26)
InChIKeyLXMZRNVTGQOVHB-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.88
Rot. Bonds8

About 2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid

2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid (PubChem CID 139317009) has the molecular formula C23H27FO4 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid
PubChem CID139317009
Molecular FormulaC23H27FO4
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid
SMILESCc1ccc(OC2CCCC(c3ccc(CCOCC(=O)O)cc3)C2)cc1F
InChIInChI=1S/C23H27FO4/c1-16-5-10-21(14-22(16)24)28-20-4-2-3-19(13-20)18-8-6-17(7-9-18)11-12-27-15-23(25)26/h5-10,14,19-20H,2-4,11-13,15H2,1H3,(H,25,26)
InChIKeyLXMZRNVTGQOVHB-UHFFFAOYSA-N
XLogP4.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[3-(4-fluorophenoxy)cyclohexyl]phenyl]ethoxy]acetic acid
CID 139317011
2-[2-[4-[(1R,3S)-3-[4-[(methylideneamino)methyl]phenoxy]cyclohexyl]phenyl]ethoxy]acetic acid
CID 163809019
2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid
CID 79017010
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine
CID 107169056
4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene
CID 107171488
3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine
CID 107168914
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
[3-(3-fluoro-4-methylphenoxy)-1-(propylamino)cyclopentyl]methanol
CID 107171546
2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20599389
4-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 81294246
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170041

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid?
The IUPAC name of 2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid (CID 139317009) is 2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid is Cc1ccc(OC2CCCC(c3ccc(CCOCC(=O)O)cc3)C2)cc1F.
What is the InChIKey of 2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid?
The InChIKey is LXMZRNVTGQOVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FO4/c1-16-5-10-21(14-22(16)24)28-20-4-2-3-19(13-20)18-8-6-17(7-9-18)11-12-27-15-23(25)26/h5-10,14,19-20H,2-4,11-13,15H2,1H3,(H,25,26).
What are the key properties of 2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid?
2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid has a molecular weight of 386.46 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[3-(3-fluoro-4-methylphenoxy)cyclohexyl]phenyl]ethoxy]acetic acid is sourced from PubChem (CID 139317009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).