(3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate

C15H19FO3 — CID 113268638

IUPAC(3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate
SMILESCOC1CCCC(OC(=O)c2ccc(F)cc2C)C1
InChIInChI=1S/C15H19FO3/c1-10-8-11(16)6-7-14(10)15(17)19-13-5-3-4-12(9-13)18-2/h6-8,12-13H,3-5,9H2,1-2H3
InChIKeyQOJMIJBNDQBXDZ-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.25
Rot. Bonds3

About (3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate

(3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate (PubChem CID 113268638) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is (3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate.

Molecular Properties

Compound Name(3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate
PubChem CID113268638
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name(3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate
SMILESCOC1CCCC(OC(=O)c2ccc(F)cc2C)C1
InChIInChI=1S/C15H19FO3/c1-10-8-11(16)6-7-14(10)15(17)19-13-5-3-4-12(9-13)18-2/h6-8,12-13H,3-5,9H2,1-2H3
InChIKeyQOJMIJBNDQBXDZ-UHFFFAOYSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 107018803
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(3-methoxycyclohexyl) 3-fluoropyridine-4-carboxylate
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1-O-cyclohexyl 4-O-methyl 2-methylbenzene-1,4-dicarboxylate
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(3-methoxycyclohexyl) 3-[(2,4-difluorobenzoyl)amino]propanoate
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CID 90221775
(3-methoxycyclohexyl) 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 78814618
cyclopentyl 2-amino-5-fluorobenzoate
CID 61278608
N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
CID 115745905
cyclopentyl 4-fluorobenzoate
CID 579482
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 103820381
cyclohexyl 2-fluoro-5-methylbenzoate
CID 62947219

Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate?
The IUPAC name of (3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate (CID 113268638) is (3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate.
What is the SMILES notation for (3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate?
The canonical SMILES for (3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate is COC1CCCC(OC(=O)c2ccc(F)cc2C)C1.
What is the InChIKey of (3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate?
The InChIKey is QOJMIJBNDQBXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-10-8-11(16)6-7-14(10)15(17)19-13-5-3-4-12(9-13)18-2/h6-8,12-13H,3-5,9H2,1-2H3.
What are the key properties of (3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate?
(3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate has a molecular weight of 266.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclohexyl) 4-fluoro-2-methylbenzoate is sourced from PubChem (CID 113268638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).