3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol

C13H17FO — CID 107129482

IUPAC3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol
SMILESCc1ccc(C2(C)CCC(O)C2)cc1F
InChIInChI=1S/C13H17FO/c1-9-3-4-10(7-12(9)14)13(2)6-5-11(15)8-13/h3-4,7,11,15H,5-6,8H2,1-2H3
InChIKeyWGLFHVWXQXVHTP-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.94
Rot. Bonds1

About 3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol

3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol (PubChem CID 107129482) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol
PubChem CID107129482
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol
SMILESCc1ccc(C2(C)CCC(O)C2)cc1F
InChIInChI=1S/C13H17FO/c1-9-3-4-10(7-12(9)14)13(2)6-5-11(15)8-13/h3-4,7,11,15H,5-6,8H2,1-2H3
InChIKeyWGLFHVWXQXVHTP-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol (CID 107129482) is 3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol is Cc1ccc(C2(C)CCC(O)C2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol?
The InChIKey is WGLFHVWXQXVHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-9-3-4-10(7-12(9)14)13(2)6-5-11(15)8-13/h3-4,7,11,15H,5-6,8H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol?
3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol has a molecular weight of 208.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-3-methylcyclopentan-1-ol is sourced from PubChem (CID 107129482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).