1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol

C11H15FO3 — CID 117305462

IUPAC1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(C)O)c(F)c1OC
InChIInChI=1S/C11H15FO3/c1-7(13)6-8-4-5-9(14-2)11(15-3)10(8)12/h4-5,7,13H,6H2,1-3H3
InChIKeyQLVAHOBVYCFTHS-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.77
Rot. Bonds4

About 1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol

1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol (PubChem CID 117305462) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
PubChem CID117305462
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(C)O)c(F)c1OC
InChIInChI=1S/C11H15FO3/c1-7(13)6-8-4-5-9(14-2)11(15-3)10(8)12/h4-5,7,13H,6H2,1-3H3
InChIKeyQLVAHOBVYCFTHS-UHFFFAOYSA-N
XLogP1.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117328885
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117303281
3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene
CID 13487722
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
CID 117328887
1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol
CID 117333392
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705
1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327193
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
CID 84776126
1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
CID 117290712

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol?
The IUPAC name of 1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol (CID 117305462) is 1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol is COc1ccc(CC(C)O)c(F)c1OC.
What is the InChIKey of 1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol?
The InChIKey is QLVAHOBVYCFTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3/c1-7(13)6-8-4-5-9(14-2)11(15-3)10(8)12/h4-5,7,13H,6H2,1-3H3.
What are the key properties of 1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol?
1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol has a molecular weight of 214.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol is sourced from PubChem (CID 117305462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).