1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol

C14H19FO — CID 79863261

IUPAC1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol
SMILESCc1cc(F)ccc1C1(O)CCCC1(C)C
InChIInChI=1S/C14H19FO/c1-10-9-11(15)5-6-12(10)14(16)8-4-7-13(14,2)3/h5-6,9,16H,4,7-8H2,1-3H3
InChIKeyUPIYPIGYOXVWNI-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.53
Rot. Bonds1

About 1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol

1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol (PubChem CID 79863261) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol
PubChem CID79863261
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol
SMILESCc1cc(F)ccc1C1(O)CCCC1(C)C
InChIInChI=1S/C14H19FO/c1-10-9-11(15)5-6-12(10)14(16)8-4-7-13(14,2)3/h5-6,9,16H,4,7-8H2,1-3H3
InChIKeyUPIYPIGYOXVWNI-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol (CID 79863261) is 1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol is Cc1cc(F)ccc1C1(O)CCCC1(C)C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol?
The InChIKey is UPIYPIGYOXVWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-10-9-11(15)5-6-12(10)14(16)8-4-7-13(14,2)3/h5-6,9,16H,4,7-8H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol?
1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol has a molecular weight of 222.30 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 79863261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).