cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol

C14H16F2O — CID 82815650

IUPACcyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)C2=CCCCC2)c1F
InChIInChI=1S/C14H16F2O/c1-9-7-8-11(15)12(13(9)16)14(17)10-5-3-2-4-6-10/h5,7-8,14,17H,2-4,6H2,1H3
InChIKeyKHPHPPZFHGFCQC-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.81
Rot. Bonds2

About cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol

cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol (PubChem CID 82815650) has the molecular formula C14H16F2O and a molecular weight of 238.28 g/mol. Its IUPAC name is cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Namecyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol
PubChem CID82815650
Molecular FormulaC14H16F2O
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namecyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)C2=CCCCC2)c1F
InChIInChI=1S/C14H16F2O/c1-9-7-8-11(15)12(13(9)16)14(17)10-5-3-2-4-6-10/h5,7-8,14,17H,2-4,6H2,1H3
InChIKeyKHPHPPZFHGFCQC-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol?
The IUPAC name of cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol (CID 82815650) is cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol.
What is the SMILES notation for cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol?
The canonical SMILES for cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol is Cc1ccc(F)c(C(O)C2=CCCCC2)c1F.
What is the InChIKey of cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol?
The InChIKey is KHPHPPZFHGFCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O/c1-9-7-8-11(15)12(13(9)16)14(17)10-5-3-2-4-6-10/h5,7-8,14,17H,2-4,6H2,1H3.
What are the key properties of cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol?
cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol has a molecular weight of 238.28 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol is sourced from PubChem (CID 82815650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).