1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid

C17H21FO3 — CID 117472089

IUPAC1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)ccc2OC2CCC2)CCCCC1
InChIInChI=1S/C17H21FO3/c18-12-7-8-15(21-13-5-4-6-13)14(11-12)17(16(19)20)9-2-1-3-10-17/h7-8,11,13H,1-6,9-10H2,(H,19,20)
InChIKeyIYEMRNLBQGEPIY-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.04
Rot. Bonds4

About 1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid

1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid (PubChem CID 117472089) has the molecular formula C17H21FO3 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid
PubChem CID117472089
Molecular FormulaC17H21FO3
Molecular Weight292.35 g/mol
Exact Mass292.15
IUPAC Name1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)ccc2OC2CCC2)CCCCC1
InChIInChI=1S/C17H21FO3/c18-12-7-8-15(21-13-5-4-6-13)14(11-12)17(16(19)20)9-2-1-3-10-17/h7-8,11,13H,1-6,9-10H2,(H,19,20)
InChIKeyIYEMRNLBQGEPIY-UHFFFAOYSA-N
XLogP4.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117405012
1-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid
CID 117336203
1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid
CID 106702511
1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117344962
1-(4-fluoro-2-formylphenyl)cyclohexane-1-carboxylic acid
CID 117378661
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 19976886
1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117493650
1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117389251
1-(2-cyclopropyloxy-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117469164
1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid
CID 117434876
1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117495558

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid (CID 117472089) is 1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid is O=C(O)C1(c2cc(F)ccc2OC2CCC2)CCCCC1.
What is the InChIKey of 1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid?
The InChIKey is IYEMRNLBQGEPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO3/c18-12-7-8-15(21-13-5-4-6-13)14(11-12)17(16(19)20)9-2-1-3-10-17/h7-8,11,13H,1-6,9-10H2,(H,19,20).
What are the key properties of 1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid?
1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid has a molecular weight of 292.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117472089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).