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

C13H8Cl2F2O2 — CID 63077759

IUPAC[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(Oc2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C13H8Cl2F2O2/c14-8-1-2-12(9(15)5-8)19-13-10(16)3-7(6-18)4-11(13)17/h1-5,18H,6H2
InChIKeyJVPOXJGMCFKEAK-UHFFFAOYSA-N
MW305.11 g/mol
LogP4.56
Rot. Bonds3

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

[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol (PubChem CID 63077759) has the molecular formula C13H8Cl2F2O2 and a molecular weight of 305.11 g/mol. Its IUPAC name is [4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol
PubChem CID63077759
Molecular FormulaC13H8Cl2F2O2
Molecular Weight305.11 g/mol
Exact Mass303.99
IUPAC Name[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(Oc2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C13H8Cl2F2O2/c14-8-1-2-12(9(15)5-8)19-13-10(16)3-7(6-18)4-11(13)17/h1-5,18H,6H2
InChIKeyJVPOXJGMCFKEAK-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.11
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077057
2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63803798
[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
CID 116689370
[4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 107659098
[4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol
CID 63078114
4-(2,4-dichlorophenoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286790
2-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816437
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
[4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol
CID 115402414
[2-(2,4-dichlorophenoxy)-4-pyridinyl]methanol
CID 61256718
N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552010
[4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol
CID 103038387

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol (CID 63077759) is [4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol is OCc1cc(F)c(Oc2ccc(Cl)cc2Cl)c(F)c1.
What is the InChIKey of [4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol?
The InChIKey is JVPOXJGMCFKEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2O2/c14-8-1-2-12(9(15)5-8)19-13-10(16)3-7(6-18)4-11(13)17/h1-5,18H,6H2.
What are the key properties of [4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol?
[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol has a molecular weight of 305.11 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 63077759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).