1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol

C17H19FO2 — CID 104793000

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol
SMILESCOc1cccc(CC(C)(O)c2ccc(C)cc2)c1F
InChIInChI=1S/C17H19FO2/c1-12-7-9-14(10-8-12)17(2,19)11-13-5-4-6-15(20-3)16(13)18/h4-10,19H,11H2,1-3H3
InChIKeyBEBQXZDEKZYLBK-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.59
Rot. Bonds4

About 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol

1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol (PubChem CID 104793000) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol
PubChem CID104793000
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol
SMILESCOc1cccc(CC(C)(O)c2ccc(C)cc2)c1F
InChIInChI=1S/C17H19FO2/c1-12-7-9-14(10-8-12)17(2,19)11-13-5-4-6-15(20-3)16(13)18/h4-10,19H,11H2,1-3H3
InChIKeyBEBQXZDEKZYLBK-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2-(3-fluorophenyl)propan-2-ol
CID 104793004
3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol
CID 104793017
1-(2,3-difluorophenyl)-2-(2-methoxyphenyl)propan-2-ol
CID 65144915
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
CID 104793411
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076
3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 104794636
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol
CID 113453954
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol
CID 83075942
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 104791514
3-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-hydroxypentan-2-one
CID 103446967
2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 158318334

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol (CID 104793000) is 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol is COc1cccc(CC(C)(O)c2ccc(C)cc2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol?
The InChIKey is BEBQXZDEKZYLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-12-7-9-14(10-8-12)17(2,19)11-13-5-4-6-15(20-3)16(13)18/h4-10,19H,11H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol?
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol has a molecular weight of 274.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 104793000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).