1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol

C16H17FO3 — CID 60797865

IUPAC1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C16H17FO3/c1-19-15-8-5-12(10-16(15)20-2)14(18)9-11-3-6-13(17)7-4-11/h3-8,10,14,18H,9H2,1-2H3
InChIKeyXDTHIVQTXDZTII-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.12
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol

1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol (PubChem CID 60797865) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
PubChem CID60797865
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C16H17FO3/c1-19-15-8-5-12(10-16(15)20-2)14(18)9-11-3-6-13(17)7-4-11/h3-8,10,14,18H,9H2,1-2H3
InChIKeyXDTHIVQTXDZTII-UHFFFAOYSA-N
XLogP3.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105192119
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-N,2-dimethylpropanamide
CID 110308894
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992
1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 61087578
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
CID 130325597
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol (CID 60797865) is 1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol is COc1ccc(C(O)Cc2ccc(F)cc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol?
The InChIKey is XDTHIVQTXDZTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-19-15-8-5-12(10-16(15)20-2)14(18)9-11-3-6-13(17)7-4-11/h3-8,10,14,18H,9H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol?
1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol has a molecular weight of 276.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 60797865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).