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

C15H13Cl2FO2 — CID 63047363

IUPAC2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C15H13Cl2FO2/c1-20-10-3-4-11(14(18)8-10)15(19)7-9-2-5-12(16)13(17)6-9/h2-6,8,15,19H,7H2,1H3
InChIKeyGKRDSKQQBQAWEA-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.42
Rot. Bonds4

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

2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol (PubChem CID 63047363) has the molecular formula C15H13Cl2FO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
PubChem CID63047363
Molecular FormulaC15H13Cl2FO2
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C15H13Cl2FO2/c1-20-10-3-4-11(14(18)8-10)15(19)7-9-2-5-12(16)13(17)6-9/h2-6,8,15,19H,7H2,1H3
InChIKeyGKRDSKQQBQAWEA-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-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 105405786
2-(2-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 61080545
1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 81304810
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63427176
1-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63017689
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 61088668
3-[4-[(3,4-dichlorophenyl)methoxy]-2-fluorophenyl]-3-hydroxypropanoic acid
CID 123785109
2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 103038976
1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63502718
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 81299680
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
2-(4-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561283

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol (CID 63047363) is 2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol is COc1ccc(C(O)Cc2ccc(Cl)c(Cl)c2)c(F)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is GKRDSKQQBQAWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FO2/c1-20-10-3-4-11(14(18)8-10)15(19)7-9-2-5-12(16)13(17)6-9/h2-6,8,15,19H,7H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol?
2-(3,4-dichlorophenyl)-1-(2-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-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 63047363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).