1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol

C17H19FO2 — CID 65297136

IUPAC1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2cc(C)c(F)c(C)c2)c1
InChIInChI=1S/C17H19FO2/c1-11-7-14(8-12(2)17(11)18)16(19)10-13-5-4-6-15(9-13)20-3/h4-9,16,19H,10H2,1-3H3
InChIKeyBIVYPIANOPATLH-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.73
Rot. Bonds4

About 1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol

1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol (PubChem CID 65297136) has the molecular formula C17H19FO2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol
PubChem CID65297136
Molecular FormulaC17H19FO2
Molecular Weight274.33 g/mol
Exact Mass274.14
IUPAC Name1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2cc(C)c(F)c(C)c2)c1
InChIInChI=1S/C17H19FO2/c1-11-7-14(8-12(2)17(11)18)16(19)10-13-5-4-6-15(9-13)20-3/h4-9,16,19H,10H2,1-3H3
InChIKeyBIVYPIANOPATLH-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-1,3-dimethylbenzene
CID 65296547
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 61080511
1-(4-fluoro-2-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 55115802
1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 63016216
1-(5-fluoro-3-pyridinyl)-2-(3-methoxyphenyl)ethanol
CID 54966198
2-(3-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 61262736
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 79697442
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 63018074
1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 104793575
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 61088668
2-(3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 55006586

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol (CID 65297136) is 1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol is COc1cccc(CC(O)c2cc(C)c(F)c(C)c2)c1.
What is the InChIKey of 1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol?
The InChIKey is BIVYPIANOPATLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-11-7-14(8-12(2)17(11)18)16(19)10-13-5-4-6-15(9-13)20-3/h4-9,16,19H,10H2,1-3H3.
What are the key properties of 1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol?
1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol has a molecular weight of 274.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 65297136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).