4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene

C16H16Cl2 — CID 82890709

IUPAC4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene
SMILESCCc1ccc(C(Cl)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C16H16Cl2/c1-3-12-5-7-13(8-6-12)16(18)15-10-14(17)9-4-11(15)2/h4-10,16H,3H2,1-2H3
InChIKeySLOWJZFBWNNZOQ-UHFFFAOYSA-N
MW279.21 g/mol
LogP5.54
Rot. Bonds3

About 4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene

4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene (PubChem CID 82890709) has the molecular formula C16H16Cl2 and a molecular weight of 279.21 g/mol. Its IUPAC name is 4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene.

Molecular Properties

Compound Name4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene
PubChem CID82890709
Molecular FormulaC16H16Cl2
Molecular Weight279.21 g/mol
Exact Mass278.06
IUPAC Name4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene
SMILESCCc1ccc(C(Cl)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C16H16Cl2/c1-3-12-5-7-13(8-6-12)16(18)15-10-14(17)9-4-11(15)2/h4-10,16H,3H2,1-2H3
InChIKeySLOWJZFBWNNZOQ-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.21
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 82891392
[(5-chloro-2-methylphenyl)-(4-ethylphenyl)methyl]hydrazine
CID 105292944
N-[(5-chloro-2-methylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 82871484
1-(5-chloro-2-methylphenyl)-2-(4-ethylphenyl)ethanol
CID 114980972
4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene
CID 55197941
5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83067906
1-bromo-4-chloro-2-[chloro-(4-propylphenyl)methyl]benzene
CID 114027818
2-[(4-butylphenyl)-chloromethyl]-4-chloro-1-fluorobenzene
CID 63431641
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene
CID 82891112
2,4-dichloro-1-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene
CID 63430749
1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
CID 82890318

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene?
The IUPAC name of 4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene (CID 82890709) is 4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene.
What is the SMILES notation for 4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene?
The canonical SMILES for 4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene is CCc1ccc(C(Cl)c2cc(Cl)ccc2C)cc1.
What is the InChIKey of 4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene?
The InChIKey is SLOWJZFBWNNZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2/c1-3-12-5-7-13(8-6-12)16(18)15-10-14(17)9-4-11(15)2/h4-10,16H,3H2,1-2H3.
What are the key properties of 4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene?
4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene has a molecular weight of 279.21 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene is sourced from PubChem (CID 82890709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).