[3-chloro-2-(4-fluorophenoxy)phenyl]methanol

C13H10ClFO2 — CID 114067610

IUPAC[3-chloro-2-(4-fluorophenoxy)phenyl]methanol
SMILESOCc1cccc(Cl)c1Oc1ccc(F)cc1
InChIInChI=1S/C13H10ClFO2/c14-12-3-1-2-9(8-16)13(12)17-11-6-4-10(15)5-7-11/h1-7,16H,8H2
InChIKeyIKGWEIBXFDTBKB-UHFFFAOYSA-N
MW252.67 g/mol
LogP3.76
Rot. Bonds3

About [3-chloro-2-(4-fluorophenoxy)phenyl]methanol

[3-chloro-2-(4-fluorophenoxy)phenyl]methanol (PubChem CID 114067610) has the molecular formula C13H10ClFO2 and a molecular weight of 252.67 g/mol. Its IUPAC name is [3-chloro-2-(4-fluorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-2-(4-fluorophenoxy)phenyl]methanol
PubChem CID114067610
Molecular FormulaC13H10ClFO2
Molecular Weight252.67 g/mol
Exact Mass252.04
IUPAC Name[3-chloro-2-(4-fluorophenoxy)phenyl]methanol
SMILESOCc1cccc(Cl)c1Oc1ccc(F)cc1
InChIInChI=1S/C13H10ClFO2/c14-12-3-1-2-9(8-16)13(12)17-11-6-4-10(15)5-7-11/h1-7,16H,8H2
InChIKeyIKGWEIBXFDTBKB-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

[4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol
CID 114067626
[3-chloro-2-(3,5-dichlorophenoxy)phenyl]methanol
CID 114067624
[3-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 115956286
[4-[2-(aminomethyl)-6-chlorophenoxy]phenyl]methanol
CID 114069405
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
[5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane
CID 178142129
1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene
CID 114067983
[2-(2,3-dichlorophenoxy)-5-fluorophenyl]methanol
CID 43313342
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
[3-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046982
[3-chloro-2-(4-iodophenoxy)phenyl]methanamine
CID 114069346
[2-[(2-chlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613091

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(4-fluorophenoxy)phenyl]methanol?
The IUPAC name of [3-chloro-2-(4-fluorophenoxy)phenyl]methanol (CID 114067610) is [3-chloro-2-(4-fluorophenoxy)phenyl]methanol.
What is the SMILES notation for [3-chloro-2-(4-fluorophenoxy)phenyl]methanol?
The canonical SMILES for [3-chloro-2-(4-fluorophenoxy)phenyl]methanol is OCc1cccc(Cl)c1Oc1ccc(F)cc1.
What is the InChIKey of [3-chloro-2-(4-fluorophenoxy)phenyl]methanol?
The InChIKey is IKGWEIBXFDTBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2/c14-12-3-1-2-9(8-16)13(12)17-11-6-4-10(15)5-7-11/h1-7,16H,8H2.
What are the key properties of [3-chloro-2-(4-fluorophenoxy)phenyl]methanol?
[3-chloro-2-(4-fluorophenoxy)phenyl]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-chloro-2-(4-fluorophenoxy)phenyl]methanol is sourced from PubChem (CID 114067610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).