2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid

C17H23FO2 — CID 81020656

IUPAC2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCc1ccc(F)c(C2CC(C(C)C)CCC2C(=O)O)c1
InChIInChI=1S/C17H23FO2/c1-10(2)12-5-6-13(17(19)20)14(9-12)15-8-11(3)4-7-16(15)18/h4,7-8,10,12-14H,5-6,9H2,1-3H3,(H,19,20)
InChIKeyLDLOQYFMIZYTOR-UHFFFAOYSA-N
MW278.37 g/mol
LogP4.37
Rot. Bonds3

About 2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid

2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 81020656) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID81020656
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCc1ccc(F)c(C2CC(C(C)C)CCC2C(=O)O)c1
InChIInChI=1S/C17H23FO2/c1-10(2)12-5-6-13(17(19)20)14(9-12)15-8-11(3)4-7-16(15)18/h4,7-8,10,12-14H,5-6,9H2,1-3H3,(H,19,20)
InChIKeyLDLOQYFMIZYTOR-UHFFFAOYSA-N
XLogP4.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 81020656) is 2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is Cc1ccc(F)c(C2CC(C(C)C)CCC2C(=O)O)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is LDLOQYFMIZYTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO2/c1-10(2)12-5-6-13(17(19)20)14(9-12)15-8-11(3)4-7-16(15)18/h4,7-8,10,12-14H,5-6,9H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 278.37 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).