4-[(2-chloro-3-fluorophenyl)methoxy]phenol

C13H10ClFO2 — CID 112652557

IUPAC4-[(2-chloro-3-fluorophenyl)methoxy]phenol
SMILESOc1ccc(OCc2cccc(F)c2Cl)cc1
InChIInChI=1S/C13H10ClFO2/c14-13-9(2-1-3-12(13)15)8-17-11-6-4-10(16)5-7-11/h1-7,16H,8H2
InChIKeyZBYWWZKUXUAHBQ-UHFFFAOYSA-N
MW252.67 g/mol
LogP3.76
Rot. Bonds3

About 4-[(2-chloro-3-fluorophenyl)methoxy]phenol

4-[(2-chloro-3-fluorophenyl)methoxy]phenol (PubChem CID 112652557) has the molecular formula C13H10ClFO2 and a molecular weight of 252.67 g/mol. Its IUPAC name is 4-[(2-chloro-3-fluorophenyl)methoxy]phenol.

Molecular Properties

Compound Name4-[(2-chloro-3-fluorophenyl)methoxy]phenol
PubChem CID112652557
Molecular FormulaC13H10ClFO2
Molecular Weight252.67 g/mol
Exact Mass252.04
IUPAC Name4-[(2-chloro-3-fluorophenyl)methoxy]phenol
SMILESOc1ccc(OCc2cccc(F)c2Cl)cc1
InChIInChI=1S/C13H10ClFO2/c14-13-9(2-1-3-12(13)15)8-17-11-6-4-10(16)5-7-11/h1-7,16H,8H2
InChIKeyZBYWWZKUXUAHBQ-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

2-chloro-1-[[4-(4-chlorobut-1-ynyl)phenoxy]methyl]-3-fluorobenzene
CID 115984000
2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
CID 112652526
1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
CID 112652330
1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene
CID 112652328
1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone
CID 112549927
4-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]but-3-yn-1-ol
CID 115983986
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
CID 112652323
2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid
CID 104651365
1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 112652534
[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 115983156
2-chloro-1-[[4-(3-chloroprop-1-ynyl)-3-methylphenoxy]methyl]-3-fluorobenzene
CID 115984008

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3-fluorophenyl)methoxy]phenol?
The IUPAC name of 4-[(2-chloro-3-fluorophenyl)methoxy]phenol (CID 112652557) is 4-[(2-chloro-3-fluorophenyl)methoxy]phenol.
What is the SMILES notation for 4-[(2-chloro-3-fluorophenyl)methoxy]phenol?
The canonical SMILES for 4-[(2-chloro-3-fluorophenyl)methoxy]phenol is Oc1ccc(OCc2cccc(F)c2Cl)cc1.
What is the InChIKey of 4-[(2-chloro-3-fluorophenyl)methoxy]phenol?
The InChIKey is ZBYWWZKUXUAHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2/c14-13-9(2-1-3-12(13)15)8-17-11-6-4-10(16)5-7-11/h1-7,16H,8H2.
What are the key properties of 4-[(2-chloro-3-fluorophenyl)methoxy]phenol?
4-[(2-chloro-3-fluorophenyl)methoxy]phenol 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 4-[(2-chloro-3-fluorophenyl)methoxy]phenol is sourced from PubChem (CID 112652557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).