2-(cyclohexylmethoxy)-3-fluorobenzoic acid

C14H17FO3 — CID 62650140

IUPAC2-(cyclohexylmethoxy)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1OCC1CCCCC1
InChIInChI=1S/C14H17FO3/c15-12-8-4-7-11(14(16)17)13(12)18-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,16,17)
InChIKeyXEGSLGCSIKGJHD-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.48
Rot. Bonds4

About 2-(cyclohexylmethoxy)-3-fluorobenzoic acid

2-(cyclohexylmethoxy)-3-fluorobenzoic acid (PubChem CID 62650140) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-3-fluorobenzoic acid
PubChem CID62650140
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name2-(cyclohexylmethoxy)-3-fluorobenzoic acid
SMILESO=C(O)c1cccc(F)c1OCC1CCCCC1
InChIInChI=1S/C14H17FO3/c15-12-8-4-7-11(14(16)17)13(12)18-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,16,17)
InChIKeyXEGSLGCSIKGJHD-UHFFFAOYSA-N
XLogP3.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxy)-3-fluorobenzoic acid
CID 62650953
3-fluoro-2-(oxan-4-ylmethoxy)benzoic acid
CID 62650307
3-chloro-2-(cyclobutylmethoxy)benzoic acid
CID 112611920
3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one
CID 117346682
2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene
CID 59117163
2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
CID 112615272
2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid
CID 114930307
3-amino-2-[(3-methylcyclohexyl)methoxy]benzoic acid
CID 114197231
3-fluoro-2-(2-methoxyethoxy)benzoic acid
CID 62650952
tert-butyl 3-[2-(cyclopropylmethoxy)-3-fluorobenzoyl]piperidine-1-carboxylate
CID 67193895
2-butoxy-3-fluorobenzoic acid
CID 62648647
2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid
CID 114457210

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-3-fluorobenzoic acid?
The IUPAC name of 2-(cyclohexylmethoxy)-3-fluorobenzoic acid (CID 62650140) is 2-(cyclohexylmethoxy)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(cyclohexylmethoxy)-3-fluorobenzoic acid?
The canonical SMILES for 2-(cyclohexylmethoxy)-3-fluorobenzoic acid is O=C(O)c1cccc(F)c1OCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethoxy)-3-fluorobenzoic acid?
The InChIKey is XEGSLGCSIKGJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c15-12-8-4-7-11(14(16)17)13(12)18-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,16,17).
What are the key properties of 2-(cyclohexylmethoxy)-3-fluorobenzoic acid?
2-(cyclohexylmethoxy)-3-fluorobenzoic acid has a molecular weight of 252.28 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-3-fluorobenzoic acid is sourced from PubChem (CID 62650140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).