1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol

C17H19FO3 — CID 104792506

IUPAC1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol
SMILESCOc1cccc(COc2ccc(CC(C)O)cc2)c1F
InChIInChI=1S/C17H19FO3/c1-12(19)10-13-6-8-15(9-7-13)21-11-14-4-3-5-16(20-2)17(14)18/h3-9,12,19H,10-11H2,1-2H3
InChIKeyLHVZCWFOFDRMDE-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.34
Rot. Bonds6

About 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol

1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol (PubChem CID 104792506) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol
PubChem CID104792506
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol
SMILESCOc1cccc(COc2ccc(CC(C)O)cc2)c1F
InChIInChI=1S/C17H19FO3/c1-12(19)10-13-6-8-15(9-7-13)21-11-14-4-3-5-16(20-2)17(14)18/h3-9,12,19H,10-11H2,1-2H3
InChIKeyLHVZCWFOFDRMDE-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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Related Compounds

1-[4-[(2,3-difluorophenyl)methoxy]phenyl]propan-2-ol
CID 115495872
1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
CID 104792542
1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 104791273
4-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792136
1-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-ol
CID 115496013
1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol
CID 104792501
2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline
CID 58021961
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102855814
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792137
[3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid
CID 104792588

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol?
The IUPAC name of 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol (CID 104792506) is 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol?
The canonical SMILES for 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol is COc1cccc(COc2ccc(CC(C)O)cc2)c1F.
What is the InChIKey of 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol?
The InChIKey is LHVZCWFOFDRMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO3/c1-12(19)10-13-6-8-15(9-7-13)21-11-14-4-3-5-16(20-2)17(14)18/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of 1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol?
1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]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-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol is sourced from PubChem (CID 104792506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).