1-chloro-2-fluoro-4-(3-methylphenoxy)benzene

C13H10ClFO — CID 91481927

IUPAC1-chloro-2-fluoro-4-(3-methylphenoxy)benzene
SMILESCc1cccc(Oc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C13H10ClFO/c1-9-3-2-4-10(7-9)16-11-5-6-12(14)13(15)8-11/h2-8H,1H3
InChIKeyJNRALUTWCMDDEX-UHFFFAOYSA-N
MW236.67 g/mol
LogP4.58
Rot. Bonds2

About 1-chloro-2-fluoro-4-(3-methylphenoxy)benzene

1-chloro-2-fluoro-4-(3-methylphenoxy)benzene (PubChem CID 91481927) has the molecular formula C13H10ClFO and a molecular weight of 236.67 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-(3-methylphenoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-(3-methylphenoxy)benzene
PubChem CID91481927
Molecular FormulaC13H10ClFO
Molecular Weight236.67 g/mol
Exact Mass236.04
IUPAC Name1-chloro-2-fluoro-4-(3-methylphenoxy)benzene
SMILESCc1cccc(Oc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C13H10ClFO/c1-9-3-2-4-10(7-9)16-11-5-6-12(14)13(15)8-11/h2-8H,1H3
InChIKeyJNRALUTWCMDDEX-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene
CID 121472039
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 82716269
5-chloro-4-fluoro-2-(3-methylphenoxy)aniline
CID 66077893
2-chloro-4-(3-methylphenoxy)aniline
CID 106701509
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
2-(4-chloro-3-fluorophenoxy)-5-methylaniline
CID 82716538
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1-[3-(4-chloro-3-fluorophenoxy)phenyl]butan-2-amine
CID 82727397
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine
CID 82727632

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-(3-methylphenoxy)benzene?
The IUPAC name of 1-chloro-2-fluoro-4-(3-methylphenoxy)benzene (CID 91481927) is 1-chloro-2-fluoro-4-(3-methylphenoxy)benzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-(3-methylphenoxy)benzene?
The canonical SMILES for 1-chloro-2-fluoro-4-(3-methylphenoxy)benzene is Cc1cccc(Oc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 1-chloro-2-fluoro-4-(3-methylphenoxy)benzene?
The InChIKey is JNRALUTWCMDDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO/c1-9-3-2-4-10(7-9)16-11-5-6-12(14)13(15)8-11/h2-8H,1H3.
What are the key properties of 1-chloro-2-fluoro-4-(3-methylphenoxy)benzene?
1-chloro-2-fluoro-4-(3-methylphenoxy)benzene has a molecular weight of 236.67 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-(3-methylphenoxy)benzene is sourced from PubChem (CID 91481927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).