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

C16H16ClFO — CID 81284003

IUPAC4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
SMILESCOc1cc(C(Cl)Cc2ccc(C)cc2)ccc1F
InChIInChI=1S/C16H16ClFO/c1-11-3-5-12(6-4-11)9-14(17)13-7-8-15(18)16(10-13)19-2/h3-8,10,14H,9H2,1-2H3
InChIKeyZTCLOZINBVRIRI-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.67
Rot. Bonds4

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

4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene (PubChem CID 81284003) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
PubChem CID81284003
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
SMILESCOc1cc(C(Cl)Cc2ccc(C)cc2)ccc1F
InChIInChI=1S/C16H16ClFO/c1-11-3-5-12(6-4-11)9-14(17)13-7-8-15(18)16(10-13)19-2/h3-8,10,14H,9H2,1-2H3
InChIKeyZTCLOZINBVRIRI-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[1-chloro-2-(3-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284301
1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine
CID 81284853
2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine
CID 81285132
4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63542159
2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-1,3-difluorobenzene
CID 81284969
2-chloro-4-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-1-fluorobenzene
CID 82876049
(4-fluoro-3-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 81289069
4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284823
1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene
CID 63435129
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 81283237
4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63427622
4-[2-(4-bromophenyl)-1-chloroethyl]-1-methoxy-2-methylbenzene
CID 63434623

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene?
The IUPAC name of 4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene (CID 81284003) is 4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene.
What is the SMILES notation for 4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene?
The canonical SMILES for 4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene is COc1cc(C(Cl)Cc2ccc(C)cc2)ccc1F.
What is the InChIKey of 4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene?
The InChIKey is ZTCLOZINBVRIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-11-3-5-12(6-4-11)9-14(17)13-7-8-15(18)16(10-13)19-2/h3-8,10,14H,9H2,1-2H3.
What are the key properties of 4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene?
4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene has a molecular weight of 278.75 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene is sourced from PubChem (CID 81284003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).