2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene

C16H16Cl2O — CID 63520416

IUPAC2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene
SMILESCOc1ccc(CC(Cl)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2O/c1-11-3-6-13(10-15(11)17)16(18)9-12-4-7-14(19-2)8-5-12/h3-8,10,16H,9H2,1-2H3
InChIKeyMUYKYUKUOUIOTJ-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.18
Rot. Bonds4

About 2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene

2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene (PubChem CID 63520416) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene.

Molecular Properties

Compound Name2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene
PubChem CID63520416
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene
SMILESCOc1ccc(CC(Cl)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2O/c1-11-3-6-13(10-15(11)17)16(18)9-12-4-7-14(19-2)8-5-12/h3-8,10,16H,9H2,1-2H3
InChIKeyMUYKYUKUOUIOTJ-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.18
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-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63427622
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 106816973
5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran
CID 63021484
4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine
CID 63016470
1-butyl-4-[1-chloro-2-(4-methoxyphenyl)ethyl]benzene
CID 63431732
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-propan-2-yloxybenzene
CID 63520593
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
CID 81307831
1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene
CID 63431003
2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene
CID 82880182
1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene
CID 63518155
4-[2-(4-bromophenyl)-1-chloroethyl]-1-methoxy-2-methylbenzene
CID 63434623

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene?
The IUPAC name of 2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene (CID 63520416) is 2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene.
What is the SMILES notation for 2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene?
The canonical SMILES for 2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene is COc1ccc(CC(Cl)c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene?
The InChIKey is MUYKYUKUOUIOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c1-11-3-6-13(10-15(11)17)16(18)9-12-4-7-14(19-2)8-5-12/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene?
2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene has a molecular weight of 295.21 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene is sourced from PubChem (CID 63520416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).