2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol

C15H13ClF2O2 — CID 63035615

IUPAC2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(F)cc2Cl)cc1F
InChIInChI=1S/C15H13ClF2O2/c1-20-15-5-3-10(6-13(15)18)14(19)7-9-2-4-11(17)8-12(9)16/h2-6,8,14,19H,7H2,1H3
InChIKeyJGICEGQZZWFTFP-UHFFFAOYSA-N
MW298.72 g/mol
LogP3.90
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol

2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 63035615) has the molecular formula C15H13ClF2O2 and a molecular weight of 298.72 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID63035615
Molecular FormulaC15H13ClF2O2
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(F)cc2Cl)cc1F
InChIInChI=1S/C15H13ClF2O2/c1-20-15-5-3-10(6-13(15)18)14(19)7-9-2-4-11(17)8-12(9)16/h2-6,8,14,19H,7H2,1H3
InChIKeyJGICEGQZZWFTFP-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 62796974
1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63035603
2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 107307527
1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 81447982
2-(2-chloro-4-fluorophenyl)-1-(3-methoxyphenyl)ethanol
CID 62607563
1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 65145914
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
(2-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61081471
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62797331
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 62607022
1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 107469320

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol (CID 63035615) is 2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc(C(O)Cc2ccc(F)cc2Cl)cc1F.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is JGICEGQZZWFTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O2/c1-20-15-5-3-10(6-13(15)18)14(19)7-9-2-4-11(17)8-12(9)16/h2-6,8,14,19H,7H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 298.72 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 63035615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).