4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid

C15H19FO3 — CID 106698414

IUPAC4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(COCC2CCCCC2)cc1F
InChIInChI=1S/C15H19FO3/c16-14-8-12(6-7-13(14)15(17)18)10-19-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,17,18)
InChIKeyZZRGKDFNKPIPOV-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.62
Rot. Bonds5

About 4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid

4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid (PubChem CID 106698414) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid
PubChem CID106698414
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(COCC2CCCCC2)cc1F
InChIInChI=1S/C15H19FO3/c16-14-8-12(6-7-13(14)15(17)18)10-19-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,17,18)
InChIKeyZZRGKDFNKPIPOV-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(cyclohexylmethylamino)methyl]-2-fluorobenzoic acid
CID 106699700
3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-enoic acid
CID 76942593
[5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid
CID 66324024
4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid
CID 63075026
2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene
CID 66322231
2-fluoro-4-(propoxymethyl)benzoic acid
CID 18913749
2-fluoro-4-(pentoxymethyl)benzoic acid
CID 106698387
3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
CID 62383927
4-(aminooxymethyl)-2-fluorobenzoic acid
CID 106698513
2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid
CID 106698537
3-[3-(cyclohexylmethoxymethyl)phenyl]prop-2-enoic acid
CID 76942603
4-(cyclopentylsulfinylmethyl)-2-fluorobenzoic acid
CID 106700649

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid?
The IUPAC name of 4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid (CID 106698414) is 4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid is O=C(O)c1ccc(COCC2CCCCC2)cc1F.
What is the InChIKey of 4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid?
The InChIKey is ZZRGKDFNKPIPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c16-14-8-12(6-7-13(14)15(17)18)10-19-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,17,18).
What are the key properties of 4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid?
4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid has a molecular weight of 266.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid is sourced from PubChem (CID 106698414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).