3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol

C14H17FO — CID 65176869

IUPAC3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(c2ccccc2F)=CC(O)C1
InChIInChI=1S/C14H17FO/c1-14(2)8-10(7-11(16)9-14)12-5-3-4-6-13(12)15/h3-7,11,16H,8-9H2,1-2H3
InChIKeyUVWZURJMNKRASG-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.39
Rot. Bonds1

About 3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol

3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol (PubChem CID 65176869) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol
PubChem CID65176869
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(c2ccccc2F)=CC(O)C1
InChIInChI=1S/C14H17FO/c1-14(2)8-10(7-11(16)9-14)12-5-3-4-6-13(12)15/h3-7,11,16H,8-9H2,1-2H3
InChIKeyUVWZURJMNKRASG-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol (CID 65176869) is 3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol is CC1(C)CC(c2ccccc2F)=CC(O)C1.
What is the InChIKey of 3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol?
The InChIKey is UVWZURJMNKRASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO/c1-14(2)8-10(7-11(16)9-14)12-5-3-4-6-13(12)15/h3-7,11,16H,8-9H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol?
3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol has a molecular weight of 220.29 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5,5-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 65176869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).