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

C15H13Cl2FO2 — CID 107307527

IUPAC2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C15H13Cl2FO2/c1-20-14-6-5-9(7-12(14)18)13(19)8-10-3-2-4-11(16)15(10)17/h2-7,13,19H,8H2,1H3
InChIKeyYKWGHYJRPUJMDU-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.42
Rot. Bonds4

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

2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 107307527) has the molecular formula C15H13Cl2FO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID107307527
Molecular FormulaC15H13Cl2FO2
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C15H13Cl2FO2/c1-20-14-6-5-9(7-12(14)18)13(19)8-10-3-2-4-11(16)15(10)17/h2-7,13,19H,8H2,1H3
InChIKeyYKWGHYJRPUJMDU-UHFFFAOYSA-N
XLogP4.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.42
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
2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 63035615
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115983371
2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 102867481
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
2-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081069
1-(3,4-difluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 61089068
2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62607764
2-(2,3-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 107308318
1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107307685
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115831204

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol (CID 107307527) is 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc(C(O)Cc2cccc(Cl)c2Cl)cc1F.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is YKWGHYJRPUJMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO2/c1-20-14-6-5-9(7-12(14)18)13(19)8-10-3-2-4-11(16)15(10)17/h2-7,13,19H,8H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol?
2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 315.17 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 107307527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).