2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene

C13H10ClFO — CID 59378243

IUPAC2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1-c1ccccc1Cl
InChIInChI=1S/C13H10ClFO/c1-16-13-7-6-9(15)8-11(13)10-4-2-3-5-12(10)14/h2-8H,1H3
InChIKeyNRBCTGPUTRDWOE-UHFFFAOYSA-N
MW236.67 g/mol
LogP4.15
Rot. Bonds2

About 2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene

2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene (PubChem CID 59378243) has the molecular formula C13H10ClFO and a molecular weight of 236.67 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene
PubChem CID59378243
Molecular FormulaC13H10ClFO
Molecular Weight236.67 g/mol
Exact Mass236.04
IUPAC Name2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1-c1ccccc1Cl
InChIInChI=1S/C13H10ClFO/c1-16-13-7-6-9(15)8-11(13)10-4-2-3-5-12(10)14/h2-8H,1H3
InChIKeyNRBCTGPUTRDWOE-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.67
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxybiphenyl
CID 6835
4-Chloro-2-methylanisole
CID 76748
3-Chloro-2-methylanisole
CID 76749
1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 6110518
2-(2-Chlorobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10309756
Chloro(4-methoxyphenyl)phenylmethane
CID 522258
2-Chloro-4-methoxytoluene
CID 6951757
1-Chloro-2-(4-ethoxybenzyl)-4-iodobenzene
CID 25207582
3-[(4-chlorophenyl)methyl]-2H-chromene
CID 45272387
1-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 15578704
1-fluoro-2-[(E)-2-(2-methoxyphenyl)ethenyl]benzene
CID 134157818
4-Fluoro-4'-methoxybiphenyl
CID 2758997

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene?
The IUPAC name of 2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene (CID 59378243) is 2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene.
What is the SMILES notation for 2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene?
The canonical SMILES for 2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene is COc1ccc(F)cc1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene?
The InChIKey is NRBCTGPUTRDWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO/c1-16-13-7-6-9(15)8-11(13)10-4-2-3-5-12(10)14/h2-8H,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene?
2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene has a molecular weight of 236.67 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-fluoro-1-methoxybenzene is sourced from PubChem (CID 59378243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).