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

C13H10ClFO2 — CID 155746244

IUPAC4-chloro-3-[(4-fluorophenyl)methoxy]phenol
SMILESOc1ccc(Cl)c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C13H10ClFO2/c14-12-6-5-11(16)7-13(12)17-8-9-1-3-10(15)4-2-9/h1-7,16H,8H2
InChIKeyWAGZDFSRXFBAMS-UHFFFAOYSA-N
MW252.67 g/mol
LogP3.76
Rot. Bonds3

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

4-chloro-3-[(4-fluorophenyl)methoxy]phenol (PubChem CID 155746244) has the molecular formula C13H10ClFO2 and a molecular weight of 252.67 g/mol. Its IUPAC name is 4-chloro-3-[(4-fluorophenyl)methoxy]phenol.

Molecular Properties

Compound Name4-chloro-3-[(4-fluorophenyl)methoxy]phenol
PubChem CID155746244
Molecular FormulaC13H10ClFO2
Molecular Weight252.67 g/mol
Exact Mass252.04
IUPAC Name4-chloro-3-[(4-fluorophenyl)methoxy]phenol
SMILESOc1ccc(Cl)c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C13H10ClFO2/c14-12-6-5-11(16)7-13(12)17-8-9-1-3-10(15)4-2-9/h1-7,16H,8H2
InChIKeyWAGZDFSRXFBAMS-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-chloro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenol
CID 142618666
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
CID 88897804
CID 88897804
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]borane
CID 91869279
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 893259
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
3-chloro-4-[(4-fluorophenyl)methoxy]benzamide
CID 91681954
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
1,4-dichloro-2-[(4-methylphenyl)methoxy]benzene
CID 71651492
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-fluorophenyl)methoxy]phenol?
The IUPAC name of 4-chloro-3-[(4-fluorophenyl)methoxy]phenol (CID 155746244) is 4-chloro-3-[(4-fluorophenyl)methoxy]phenol.
What is the SMILES notation for 4-chloro-3-[(4-fluorophenyl)methoxy]phenol?
The canonical SMILES for 4-chloro-3-[(4-fluorophenyl)methoxy]phenol is Oc1ccc(Cl)c(OCc2ccc(F)cc2)c1.
What is the InChIKey of 4-chloro-3-[(4-fluorophenyl)methoxy]phenol?
The InChIKey is WAGZDFSRXFBAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO2/c14-12-6-5-11(16)7-13(12)17-8-9-1-3-10(15)4-2-9/h1-7,16H,8H2.
What are the key properties of 4-chloro-3-[(4-fluorophenyl)methoxy]phenol?
4-chloro-3-[(4-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-chloro-3-[(4-fluorophenyl)methoxy]phenol is sourced from PubChem (CID 155746244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).