1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol

C17H19FO3 — CID 104793575

IUPAC1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(CC(O)Cc2cccc(OC)c2F)c1
InChIInChI=1S/C17H19FO3/c1-20-15-7-3-5-12(10-15)9-14(19)11-13-6-4-8-16(21-2)17(13)18/h3-8,10,14,19H,9,11H2,1-2H3
InChIKeyWHQDBQPZXVSVBZ-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.99
Rot. Bonds6

About 1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol

1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol (PubChem CID 104793575) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol
PubChem CID104793575
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol
SMILESCOc1cccc(CC(O)Cc2cccc(OC)c2F)c1
InChIInChI=1S/C17H19FO3/c1-20-15-7-3-5-12(10-15)9-14(19)11-13-6-4-8-16(21-2)17(13)18/h3-8,10,14,19H,9,11H2,1-2H3
InChIKeyWHQDBQPZXVSVBZ-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 115983556
1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol
CID 105125769
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 104793618
1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol
CID 65297136
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
CID 62608080
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105125656
1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82788489
1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 62606541
2-(2-fluoro-3-methoxyphenyl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 104793170
[1-(2-fluoro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105205201

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol (CID 104793575) is 1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol is COc1cccc(CC(O)Cc2cccc(OC)c2F)c1.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol?
The InChIKey is WHQDBQPZXVSVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO3/c1-20-15-7-3-5-12(10-15)9-14(19)11-13-6-4-8-16(21-2)17(13)18/h3-8,10,14,19H,9,11H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol?
1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol has a molecular weight of 290.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 104793575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).