2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol

C16H16F2O3 — CID 63894517

IUPAC2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc(C(O)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C16H16F2O3/c1-20-13-5-11(6-14(9-13)21-2)16(19)7-10-3-4-12(17)8-15(10)18/h3-6,8-9,16,19H,7H2,1-2H3
InChIKeyYDARPKLPQXXOHA-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.26
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol

2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol (PubChem CID 63894517) has the molecular formula C16H16F2O3 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
PubChem CID63894517
Molecular FormulaC16H16F2O3
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Name2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(OC)cc(C(O)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C16H16F2O3/c1-20-13-5-11(6-14(9-13)21-2)16(19)7-10-3-4-12(17)8-15(10)18/h3-6,8-9,16,19H,7H2,1-2H3
InChIKeyYDARPKLPQXXOHA-UHFFFAOYSA-N
XLogP3.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 65148243
1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 63016216
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 63895221
2-(2-chloro-4-fluorophenyl)-1-(3-methoxyphenyl)ethanol
CID 62607563
2-(2,4-difluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106879490
(2,5-difluorophenyl)-(3,5-dimethoxyphenyl)methanol
CID 61100108
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 103038976
2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethanol
CID 15650401
1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197177
2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 63035615
1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)ethanol
CID 103216689

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol (CID 63894517) is 2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol is COc1cc(OC)cc(C(O)Cc2ccc(F)cc2F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol?
The InChIKey is YDARPKLPQXXOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O3/c1-20-13-5-11(6-14(9-13)21-2)16(19)7-10-3-4-12(17)8-15(10)18/h3-6,8-9,16,19H,7H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol?
2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol has a molecular weight of 294.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 63894517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).