1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene

C15H14ClFO2 — CID 174501482

IUPAC1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene
SMILESCOc1ccc(-c2ccc(F)c(Cl)c2)c(C)c1OC
InChIInChI=1S/C15H14ClFO2/c1-9-11(5-7-14(18-2)15(9)19-3)10-4-6-13(17)12(16)8-10/h4-8H,1-3H3
InChIKeyIRSKOWIZYSHHIC-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.47
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene

1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene (PubChem CID 174501482) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene
PubChem CID174501482
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene
SMILESCOc1ccc(-c2ccc(F)c(Cl)c2)c(C)c1OC
InChIInChI=1S/C15H14ClFO2/c1-9-11(5-7-14(18-2)15(9)19-3)10-4-6-13(17)12(16)8-10/h4-8H,1-3H3
InChIKeyIRSKOWIZYSHHIC-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene
CID 174501596
1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene
CID 118188502
1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
CID 57161799
2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]acetic acid
CID 176513648
4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride
CID 139864479
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746
2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene
CID 130359097
3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]methyl]phenol
CID 169189068
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
4-(2,4-dichlorophenyl)-2-methoxyaniline
CID 164513719
5-chloro-2-(3-fluoro-4-methoxyphenyl)aniline
CID 81274573
2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline
CID 61025129

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene (CID 174501482) is 1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene is COc1ccc(-c2ccc(F)c(Cl)c2)c(C)c1OC.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene?
The InChIKey is IRSKOWIZYSHHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2/c1-9-11(5-7-14(18-2)15(9)19-3)10-4-6-13(17)12(16)8-10/h4-8H,1-3H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene?
1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene has a molecular weight of 280.73 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3,4-dimethoxy-2-methylbenzene is sourced from PubChem (CID 174501482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).