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

C13H9ClF2O2 — CID 63077057

IUPAC[4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(Oc2ccccc2Cl)c(F)c1
InChIInChI=1S/C13H9ClF2O2/c14-9-3-1-2-4-12(9)18-13-10(15)5-8(7-17)6-11(13)16/h1-6,17H,7H2
InChIKeyQKEGEDCCOPWHON-UHFFFAOYSA-N
MW270.66 g/mol
LogP3.90
Rot. Bonds3

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

[4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol (PubChem CID 63077057) has the molecular formula C13H9ClF2O2 and a molecular weight of 270.66 g/mol. Its IUPAC name is [4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol
PubChem CID63077057
Molecular FormulaC13H9ClF2O2
Molecular Weight270.66 g/mol
Exact Mass270.03
IUPAC Name[4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol
SMILESOCc1cc(F)c(Oc2ccccc2Cl)c(F)c1
InChIInChI=1S/C13H9ClF2O2/c14-9-3-1-2-4-12(9)18-13-10(15)5-8(7-17)6-11(13)16/h1-6,17H,7H2
InChIKeyQKEGEDCCOPWHON-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.66
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
CID 116689370
[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077759
[4-(4-bromo-2,5-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 107659098
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
[4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol
CID 63078112
[2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol
CID 63654481
1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene
CID 63565884
[4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol
CID 63078114
2-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816437
[2-(2-chlorophenoxy)-4-pyridinyl]methanol
CID 61256084
[4-(4-bromo-2-propan-2-ylphenoxy)-3,5-difluorophenyl]methanol
CID 115402414
2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63803798

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol (CID 63077057) is [4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol is OCc1cc(F)c(Oc2ccccc2Cl)c(F)c1.
What is the InChIKey of [4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol?
The InChIKey is QKEGEDCCOPWHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2O2/c14-9-3-1-2-4-12(9)18-13-10(15)5-8(7-17)6-11(13)16/h1-6,17H,7H2.
What are the key properties of [4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol?
[4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol has a molecular weight of 270.66 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 63077057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).