2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid

C14H17FO3 — CID 79511879

IUPAC2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid
SMILESCC1CCCCC1Oc1cccc(F)c1C(=O)O
InChIInChI=1S/C14H17FO3/c1-9-5-2-3-7-11(9)18-12-8-4-6-10(15)13(12)14(16)17/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyGXOPJHSRFKRDJC-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.48
Rot. Bonds3

About 2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid

2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid (PubChem CID 79511879) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid
PubChem CID79511879
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid
SMILESCC1CCCCC1Oc1cccc(F)c1C(=O)O
InChIInChI=1S/C14H17FO3/c1-9-5-2-3-7-11(9)18-12-8-4-6-10(15)13(12)14(16)17/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,16,17)
InChIKeyGXOPJHSRFKRDJC-UHFFFAOYSA-N
XLogP3.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 43189015
(1R)-1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 55183517
2-fluoro-6-(oxan-4-yloxy)benzoic acid
CID 79511239
2-(2-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 82239796
3,5-difluoro-4-(2-methylcyclohexyl)oxybenzoic acid
CID 63183618
1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone
CID 43188667
(2-methylcyclohexyl) 2-(2-methylcyclohexyl)oxybenzoate
CID 57133413
2-fluoro-6-(3-methylsulfonylcyclohexyl)oxybenzoic acid
CID 107013979
1-methyl-2-(2-methylcyclohexyl)oxybenzene
CID 139448709
4-(2-methylcyclohexyl)oxypyridine-3-carboxylic acid
CID 81228628
N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
CID 43285022
1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid
CID 65432630

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid?
The IUPAC name of 2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid (CID 79511879) is 2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid.
What is the SMILES notation for 2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid?
The canonical SMILES for 2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid is CC1CCCCC1Oc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid?
The InChIKey is GXOPJHSRFKRDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-9-5-2-3-7-11(9)18-12-8-4-6-10(15)13(12)14(16)17/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid?
2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid has a molecular weight of 252.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methylcyclohexyl)oxybenzoic acid is sourced from PubChem (CID 79511879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).