[3-(3-chlorophenoxy)-5-fluorophenyl]methanol

C13H10ClFO2 — CID 106530131

IUPAC[3-(3-chlorophenoxy)-5-fluorophenyl]methanol
SMILESOCc1cc(F)cc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C13H10ClFO2/c14-10-2-1-3-12(6-10)17-13-5-9(8-16)4-11(15)7-13/h1-7,16H,8H2
InChIKeyGXDLEHNWROZLNQ-UHFFFAOYSA-N
MW252.67 g/mol
LogP3.76
Rot. Bonds3

About [3-(3-chlorophenoxy)-5-fluorophenyl]methanol

[3-(3-chlorophenoxy)-5-fluorophenyl]methanol (PubChem CID 106530131) has the molecular formula C13H10ClFO2 and a molecular weight of 252.67 g/mol. Its IUPAC name is [3-(3-chlorophenoxy)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(3-chlorophenoxy)-5-fluorophenyl]methanol
PubChem CID106530131
Molecular FormulaC13H10ClFO2
Molecular Weight252.67 g/mol
Exact Mass252.04
IUPAC Name[3-(3-chlorophenoxy)-5-fluorophenyl]methanol
SMILESOCc1cc(F)cc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C13H10ClFO2/c14-10-2-1-3-12(6-10)17-13-5-9(8-16)4-11(15)7-13/h1-7,16H,8H2
InChIKeyGXDLEHNWROZLNQ-UHFFFAOYSA-N
XLogP3.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533350
[3-(3-fluorophenoxy)phenyl]methanol
CID 13255235
3-(3-chlorophenoxy)-5-fluoroaniline
CID 80752304
[3-(2,3-difluorophenoxy)-5-fluorophenyl]methanol
CID 106530200
[3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol
CID 106530101
1-(3-chlorophenoxy)-3-fluoro-5-nitrobenzene
CID 80753305
[3-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]methanol
CID 114850200
(3-fluoro-5-quinolin-7-yloxyphenyl)methanol
CID 107314116
2-[3-(3-chlorophenoxy)phenyl]ethanamine
CID 63943128
[3-fluoro-5-(4-nitrophenoxy)phenyl]methanol
CID 106530170
[3-(4-butylphenoxy)-5-fluorophenyl]methanol
CID 106530226
[3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol
CID 106530155

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenoxy)-5-fluorophenyl]methanol?
The IUPAC name of [3-(3-chlorophenoxy)-5-fluorophenyl]methanol (CID 106530131) is [3-(3-chlorophenoxy)-5-fluorophenyl]methanol.
What is the SMILES notation for [3-(3-chlorophenoxy)-5-fluorophenyl]methanol?
The canonical SMILES for [3-(3-chlorophenoxy)-5-fluorophenyl]methanol is OCc1cc(F)cc(Oc2cccc(Cl)c2)c1.
What is the InChIKey of [3-(3-chlorophenoxy)-5-fluorophenyl]methanol?
The InChIKey is GXDLEHNWROZLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2/c14-10-2-1-3-12(6-10)17-13-5-9(8-16)4-11(15)7-13/h1-7,16H,8H2.
What are the key properties of [3-(3-chlorophenoxy)-5-fluorophenyl]methanol?
[3-(3-chlorophenoxy)-5-fluorophenyl]methanol has a molecular weight of 252.67 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenoxy)-5-fluorophenyl]methanol is sourced from PubChem (CID 106530131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).