1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol

C17H19FO3 — CID 117469072

IUPAC1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol
SMILESCOc1ccc(OCc2ccccc2)c(F)c1CC(C)O
InChIInChI=1S/C17H19FO3/c1-12(19)10-14-15(20-2)8-9-16(17(14)18)21-11-13-6-4-3-5-7-13/h3-9,12,19H,10-11H2,1-2H3
InChIKeyNDTKYFREGUIYLO-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.34
Rot. Bonds6

About 1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol

1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol (PubChem CID 117469072) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol
PubChem CID117469072
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol
SMILESCOc1ccc(OCc2ccccc2)c(F)c1CC(C)O
InChIInChI=1S/C17H19FO3/c1-12(19)10-14-15(20-2)8-9-16(17(14)18)21-11-13-6-4-3-5-7-13/h3-9,12,19H,10-11H2,1-2H3
InChIKeyNDTKYFREGUIYLO-UHFFFAOYSA-N
XLogP3.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol?
The IUPAC name of 1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol (CID 117469072) is 1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol is COc1ccc(OCc2ccccc2)c(F)c1CC(C)O.
What is the InChIKey of 1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol?
The InChIKey is NDTKYFREGUIYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO3/c1-12(19)10-14-15(20-2)8-9-16(17(14)18)21-11-13-6-4-3-5-7-13/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of 1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol?
1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol has a molecular weight of 290.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol is sourced from PubChem (CID 117469072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).