1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene

C16H16ClFO2 — CID 61084057

IUPAC1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cccc(CC(Cl)c2ccc(OC)cc2F)c1
InChIInChI=1S/C16H16ClFO2/c1-19-12-5-3-4-11(8-12)9-15(17)14-7-6-13(20-2)10-16(14)18/h3-8,10,15H,9H2,1-2H3
InChIKeyCFPORGXDNVCQEJ-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.37
Rot. Bonds5

About 1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene

1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene (PubChem CID 61084057) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene
PubChem CID61084057
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cccc(CC(Cl)c2ccc(OC)cc2F)c1
InChIInChI=1S/C16H16ClFO2/c1-19-12-5-3-4-11(8-12)9-15(17)14-7-6-13(20-2)10-16(14)18/h3-8,10,15H,9H2,1-2H3
InChIKeyCFPORGXDNVCQEJ-UHFFFAOYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene
CID 63434678
1-chloro-2-[2-chloro-2-(2-fluoro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63434219
4-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63543522
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 61088668
5-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-1,3-dimethylbenzene
CID 65296547
2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene
CID 63434211
1-(1-chloro-3-methylbutyl)-2-fluoro-4-methoxybenzene
CID 61083473
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzene
CID 63443710
1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene
CID 63017955
1-(1-chloro-3,3,3-trifluoropropyl)-2-fluoro-4-methoxybenzene
CID 61083870
2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-5-methoxybenzene
CID 63427344
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene
CID 63016090

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene (CID 61084057) is 1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene is COc1cccc(CC(Cl)c2ccc(OC)cc2F)c1.
What is the InChIKey of 1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene?
The InChIKey is CFPORGXDNVCQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-19-12-5-3-4-11(8-12)9-15(17)14-7-6-13(20-2)10-16(14)18/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene?
1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene has a molecular weight of 294.75 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(3-methoxyphenyl)ethyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 61084057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).