2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol

C15H12F4O2 — CID 115832717

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
SMILESCOc1cccc(CC(O)c2ccc(F)c(F)c2F)c1F
InChIInChI=1S/C15H12F4O2/c1-21-12-4-2-3-8(13(12)17)7-11(20)9-5-6-10(16)15(19)14(9)18/h2-6,11,20H,7H2,1H3
InChIKeyOSCWZTZDSURMCB-UHFFFAOYSA-N
MW300.25 g/mol
LogP3.53
Rot. Bonds4

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

2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol (PubChem CID 115832717) has the molecular formula C15H12F4O2 and a molecular weight of 300.25 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
PubChem CID115832717
Molecular FormulaC15H12F4O2
Molecular Weight300.25 g/mol
Exact Mass300.08
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
SMILESCOc1cccc(CC(O)c2ccc(F)c(F)c2F)c1F
InChIInChI=1S/C15H12F4O2/c1-21-12-4-2-3-8(13(12)17)7-11(20)9-5-6-10(16)15(19)14(9)18/h2-6,11,20H,7H2,1H3
InChIKeyOSCWZTZDSURMCB-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105035477
2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115788665
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832698
2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115832675
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832813
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 104793076
2-(4-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82807893
1-(4-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 106695530
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-2,3,4-trifluorobenzene
CID 79756553
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 82802069
2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115788745

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol (CID 115832717) is 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol is COc1cccc(CC(O)c2ccc(F)c(F)c2F)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol?
The InChIKey is OSCWZTZDSURMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O2/c1-21-12-4-2-3-8(13(12)17)7-11(20)9-5-6-10(16)15(19)14(9)18/h2-6,11,20H,7H2,1H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol?
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol has a molecular weight of 300.25 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol is sourced from PubChem (CID 115832717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).