[2-chloro-6-(3,5-difluorophenoxy)phenyl]methanol

C13H9ClF2O2 — CID 62785045

IUPAC[2-chloro-6-(3,5-difluorophenoxy)phenyl]methanol
SMILESOCc1c(Cl)cccc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C13H9ClF2O2/c14-12-2-1-3-13(11(12)7-17)18-10-5-8(15)4-9(16)6-10/h1-6,17H,7H2
InChIKeyQMIREZBASYNEOE-UHFFFAOYSA-N
MW270.66 g/mol
LogP3.90
Rot. Bonds3

About [2-chloro-6-(3,5-difluorophenoxy)phenyl]methanol

[2-chloro-6-(3,5-difluorophenoxy)phenyl]methanol (PubChem CID 62785045) has the molecular formula C13H9ClF2O2 and a molecular weight of 270.66 g/mol. Its IUPAC name is [2-chloro-6-(3,5-difluorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(3,5-difluorophenoxy)phenyl]methanol
PubChem CID62785045
Molecular FormulaC13H9ClF2O2
Molecular Weight270.66 g/mol
Exact Mass270.03
IUPAC Name[2-chloro-6-(3,5-difluorophenoxy)phenyl]methanol
SMILESOCc1c(Cl)cccc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C13H9ClF2O2/c14-12-2-1-3-13(11(12)7-17)18-10-5-8(15)4-9(16)6-10/h1-6,17H,7H2
InChIKeyQMIREZBASYNEOE-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

Benzenemethanol, 2-(phenylmethoxy)-
CID 18811
2-Phenoxybenzyl alcohol
CID 3660111
7-Chlorochroman-4-ol
CID 76851067
4 Chloro-2-methoxybenzyl alcohol
CID 3549393
1,3-Dichloro-5-[(3,5-difluorophenyl)methoxy]benzene
CID 2740949
(3R,4R)-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol
CID 45272393
4-[(2-Chlorophenyl)methoxy]phenol
CID 43143381
Benzyl 3-chlorophenyl ether
CID 13702
Benzenemethanol, 2,2'-oxybis-
CID 611393
4-(4-Fluorobenzyloxy)chlorobenzene
CID 2090063
(3-((2-Chlorobenzyl)oxy)phenyl)boronic acid
CID 16217705
B-[3-[(2-Chlorophenyl)methoxy]-2,6-difluorophenyl]boronic acid
CID 16217910

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(3,5-difluorophenoxy)phenyl]methanol?
The IUPAC name of [2-chloro-6-(3,5-difluorophenoxy)phenyl]methanol (CID 62785045) is [2-chloro-6-(3,5-difluorophenoxy)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-(3,5-difluorophenoxy)phenyl]methanol?
The canonical SMILES for [2-chloro-6-(3,5-difluorophenoxy)phenyl]methanol is OCc1c(Cl)cccc1Oc1cc(F)cc(F)c1.
What is the InChIKey of [2-chloro-6-(3,5-difluorophenoxy)phenyl]methanol?
The InChIKey is QMIREZBASYNEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2O2/c14-12-2-1-3-13(11(12)7-17)18-10-5-8(15)4-9(16)6-10/h1-6,17H,7H2.
What are the key properties of [2-chloro-6-(3,5-difluorophenoxy)phenyl]methanol?
[2-chloro-6-(3,5-difluorophenoxy)phenyl]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 [2-chloro-6-(3,5-difluorophenoxy)phenyl]methanol is sourced from PubChem (CID 62785045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).