2-chloro-6-(2-fluoro-4-phenylphenyl)phenol

C18H12ClFO — CID 174342705

IUPAC2-chloro-6-(2-fluoro-4-phenylphenyl)phenol
SMILESOc1c(Cl)cccc1-c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C18H12ClFO/c19-16-8-4-7-15(18(16)21)14-10-9-13(11-17(14)20)12-5-2-1-3-6-12/h1-11,21H
InChIKeyDSOLCDQYGVSRDQ-UHFFFAOYSA-N
MW298.74 g/mol
LogP5.52
Rot. Bonds2

About 2-chloro-6-(2-fluoro-4-phenylphenyl)phenol

2-chloro-6-(2-fluoro-4-phenylphenyl)phenol (PubChem CID 174342705) has the molecular formula C18H12ClFO and a molecular weight of 298.74 g/mol. Its IUPAC name is 2-chloro-6-(2-fluoro-4-phenylphenyl)phenol.

Molecular Properties

Compound Name2-chloro-6-(2-fluoro-4-phenylphenyl)phenol
PubChem CID174342705
Molecular FormulaC18H12ClFO
Molecular Weight298.74 g/mol
Exact Mass298.06
IUPAC Name2-chloro-6-(2-fluoro-4-phenylphenyl)phenol
SMILESOc1c(Cl)cccc1-c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C18H12ClFO/c19-16-8-4-7-15(18(16)21)14-10-9-13(11-17(14)20)12-5-2-1-3-6-12/h1-11,21H
InChIKeyDSOLCDQYGVSRDQ-UHFFFAOYSA-N
XLogP5.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.74
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-1-(2-fluoro-4-phenylphenyl)-4-phenylbenzene
CID 130387899
2-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
CID 160808013
2-chloro-1-fluoro-3,5-diphenylbenzene
CID 23135570
2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene
CID 176875613
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 58058665
2-chloro-6-phenylphenol;piperidine
CID 172842774
2-fluoro-1,4-bis(3-fluorophenyl)benzene
CID 58392571
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,1'-biphenyl;2-chlorophenol
CID 174555563
1,2,4-triphenylbenzene
CID 518325
4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile
CID 138498827

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-fluoro-4-phenylphenyl)phenol?
The IUPAC name of 2-chloro-6-(2-fluoro-4-phenylphenyl)phenol (CID 174342705) is 2-chloro-6-(2-fluoro-4-phenylphenyl)phenol.
What is the SMILES notation for 2-chloro-6-(2-fluoro-4-phenylphenyl)phenol?
The canonical SMILES for 2-chloro-6-(2-fluoro-4-phenylphenyl)phenol is Oc1c(Cl)cccc1-c1ccc(-c2ccccc2)cc1F.
What is the InChIKey of 2-chloro-6-(2-fluoro-4-phenylphenyl)phenol?
The InChIKey is DSOLCDQYGVSRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFO/c19-16-8-4-7-15(18(16)21)14-10-9-13(11-17(14)20)12-5-2-1-3-6-12/h1-11,21H.
What are the key properties of 2-chloro-6-(2-fluoro-4-phenylphenyl)phenol?
2-chloro-6-(2-fluoro-4-phenylphenyl)phenol has a molecular weight of 298.74 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-fluoro-4-phenylphenyl)phenol is sourced from PubChem (CID 174342705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).