5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene

C14H12ClFO — CID 123222011

IUPAC5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene
SMILESCOc1cc(-c2cccc(Cl)c2)cc(F)c1C
InChIInChI=1S/C14H12ClFO/c1-9-13(16)7-11(8-14(9)17-2)10-4-3-5-12(15)6-10/h3-8H,1-2H3
InChIKeyUMBVQWKXKPIUMT-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.46
Rot. Bonds2

About 5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene

5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene (PubChem CID 123222011) has the molecular formula C14H12ClFO and a molecular weight of 250.70 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene
PubChem CID123222011
Molecular FormulaC14H12ClFO
Molecular Weight250.70 g/mol
Exact Mass250.06
IUPAC Name5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene
SMILESCOc1cc(-c2cccc(Cl)c2)cc(F)c1C
InChIInChI=1S/C14H12ClFO/c1-9-13(16)7-11(8-14(9)17-2)10-4-3-5-12(15)6-10/h3-8H,1-2H3
InChIKeyUMBVQWKXKPIUMT-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
CID 134623746
4-(3-chlorophenyl)-2-methoxyaniline
CID 164513717
4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene
CID 146034914
5-(3-chlorophenyl)-2,3-difluoroaniline
CID 169493264
3-(4-fluoro-3-methoxyphenyl)phenol
CID 53218581
1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene
CID 118811160
1-fluoro-3,5-dimethoxy-2-methylbenzene
CID 22970635
2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene
CID 69117451
6-chloro-2-(3-chlorophenyl)-3-methoxypyridine
CID 174463483
2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene
CID 178009637
[5-(3-chlorophenyl)-2-methoxy-3-methylphenyl]methanamine
CID 171919569
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene?
The IUPAC name of 5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene (CID 123222011) is 5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene.
What is the SMILES notation for 5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene?
The canonical SMILES for 5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene is COc1cc(-c2cccc(Cl)c2)cc(F)c1C.
What is the InChIKey of 5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene?
The InChIKey is UMBVQWKXKPIUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO/c1-9-13(16)7-11(8-14(9)17-2)10-4-3-5-12(15)6-10/h3-8H,1-2H3.
What are the key properties of 5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene?
5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene has a molecular weight of 250.70 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene is sourced from PubChem (CID 123222011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).