2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol

C13H17FO2 — CID 114834639

IUPAC2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol
SMILESCC1(Cc2ccccc2F)CC(O)CCO1
InChIInChI=1S/C13H17FO2/c1-13(9-11(15)6-7-16-13)8-10-4-2-3-5-12(10)14/h2-5,11,15H,6-9H2,1H3
InChIKeyVXOUQJCJANVBIP-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.30
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol

2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol (PubChem CID 114834639) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol
PubChem CID114834639
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol
SMILESCC1(Cc2ccccc2F)CC(O)CCO1
InChIInChI=1S/C13H17FO2/c1-13(9-11(15)6-7-16-13)8-10-4-2-3-5-12(10)14/h2-5,11,15H,6-9H2,1H3
InChIKeyVXOUQJCJANVBIP-UHFFFAOYSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol (CID 114834639) is 2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol is CC1(Cc2ccccc2F)CC(O)CCO1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol?
The InChIKey is VXOUQJCJANVBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-13(9-11(15)6-7-16-13)8-10-4-2-3-5-12(10)14/h2-5,11,15H,6-9H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol?
2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol has a molecular weight of 224.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-2-methyloxan-4-ol is sourced from PubChem (CID 114834639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).