[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol

C13H8ClF3O2 — CID 116689370

IUPAC[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(Oc2cccc(Cl)c2F)c(F)c1
InChIInChI=1S/C13H8ClF3O2/c14-8-2-1-3-11(12(8)17)19-13-9(15)4-7(6-18)5-10(13)16/h1-5,18H,6H2
InChIKeySGEWVUGVSAAVBN-UHFFFAOYSA-N
MW288.65 g/mol
LogP4.04
Rot. Bonds3

About [4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol

[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol (PubChem CID 116689370) has the molecular formula C13H8ClF3O2 and a molecular weight of 288.65 g/mol. Its IUPAC name is [4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
PubChem CID116689370
Molecular FormulaC13H8ClF3O2
Molecular Weight288.65 g/mol
Exact Mass288.02
IUPAC Name[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(Oc2cccc(Cl)c2F)c(F)c1
InChIInChI=1S/C13H8ClF3O2/c14-8-2-1-3-11(12(8)17)19-13-9(15)4-7(6-18)5-10(13)16/h1-5,18H,6H2
InChIKeySGEWVUGVSAAVBN-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.65
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077057
[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077759
[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689765
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
[4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 107659098
[2-tert-butyl-6-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 116689756
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene
CID 63565884
[2-(3-chloro-2-fluorophenoxy)-6-propyl-4-pyridinyl]methanol
CID 116689764
[4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol
CID 63078114
5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene
CID 107088431
2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802666

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol (CID 116689370) is [4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol is OCc1cc(F)c(Oc2cccc(Cl)c2F)c(F)c1.
What is the InChIKey of [4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol?
The InChIKey is SGEWVUGVSAAVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3O2/c14-8-2-1-3-11(12(8)17)19-13-9(15)4-7(6-18)5-10(13)16/h1-5,18H,6H2.
What are the key properties of [4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol?
[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol has a molecular weight of 288.65 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 116689370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).