[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol

C13H9Cl2FO2 — CID 54898336

IUPAC[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol
SMILESOCc1ccc(Oc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C13H9Cl2FO2/c14-10-3-2-9(6-11(10)15)18-13-4-1-8(7-17)5-12(13)16/h1-6,17H,7H2
InChIKeySFROGETVGOBSQC-UHFFFAOYSA-N
MW287.12 g/mol
LogP4.42
Rot. Bonds3

About [4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol

[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol (PubChem CID 54898336) has the molecular formula C13H9Cl2FO2 and a molecular weight of 287.12 g/mol. Its IUPAC name is [4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol
PubChem CID54898336
Molecular FormulaC13H9Cl2FO2
Molecular Weight287.12 g/mol
Exact Mass286.00
IUPAC Name[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol
SMILESOCc1ccc(Oc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C13H9Cl2FO2/c14-10-3-2-9(6-11(10)15)18-13-4-1-8(7-17)5-12(13)16/h1-6,17H,7H2
InChIKeySFROGETVGOBSQC-UHFFFAOYSA-N
XLogP4.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-chloro-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 82716427
1-(3,4-dichlorophenyl)-2-[3-fluoro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanone
CID 158849133
[4-(4-bromo-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 65201220
[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol
CID 43369995
[4-(3,5-difluorophenoxy)-3-fluorophenyl]methanol
CID 55112239
(3-fluoro-4-phenoxyphenyl)methanol
CID 28946102
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol
CID 28946122
[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]methanol
CID 81151526
[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 62074951
[4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61227389
[4-(3-ethylphenoxy)-3-fluorophenyl]methanol
CID 28945816
4-(3,4-dichlorophenoxy)-3-fluorobenzonitrile
CID 54897766

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol?
The IUPAC name of [4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol (CID 54898336) is [4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol is OCc1ccc(Oc2ccc(Cl)c(Cl)c2)c(F)c1.
What is the InChIKey of [4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol?
The InChIKey is SFROGETVGOBSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FO2/c14-10-3-2-9(6-11(10)15)18-13-4-1-8(7-17)5-12(13)16/h1-6,17H,7H2.
What are the key properties of [4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol?
[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol has a molecular weight of 287.12 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol is sourced from PubChem (CID 54898336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).