4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol

C14H19FO — CID 141062889

IUPAC4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FO/c1-14(16)8-6-12(7-9-14)10-11-2-4-13(15)5-3-11/h2-5,12,16H,6-10H2,1H3
InChIKeyHIYDZYOAAAKIOW-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.31
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol

4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol (PubChem CID 141062889) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol
PubChem CID141062889
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FO/c1-14(16)8-6-12(7-9-14)10-11-2-4-13(15)5-3-11/h2-5,12,16H,6-10H2,1H3
InChIKeyHIYDZYOAAAKIOW-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol (CID 141062889) is 4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol is CC1(O)CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol?
The InChIKey is HIYDZYOAAAKIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-14(16)8-6-12(7-9-14)10-11-2-4-13(15)5-3-11/h2-5,12,16H,6-10H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol?
4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol has a molecular weight of 222.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 141062889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).