1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene

C18H20Cl2 — CID 107099347

IUPAC1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene
SMILESCCc1ccc(C(Cl)c2cccc(Cl)c2C)cc1CC
InChIInChI=1S/C18H20Cl2/c1-4-13-9-10-15(11-14(13)5-2)18(20)16-7-6-8-17(19)12(16)3/h6-11,18H,4-5H2,1-3H3
InChIKeyIWMBLQGTUJTUKV-UHFFFAOYSA-N
MW307.26 g/mol
LogP6.10
Rot. Bonds4

About 1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene

1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene (PubChem CID 107099347) has the molecular formula C18H20Cl2 and a molecular weight of 307.26 g/mol. Its IUPAC name is 1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene
PubChem CID107099347
Molecular FormulaC18H20Cl2
Molecular Weight307.26 g/mol
Exact Mass306.09
IUPAC Name1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene
SMILESCCc1ccc(C(Cl)c2cccc(Cl)c2C)cc1CC
InChIInChI=1S/C18H20Cl2/c1-4-13-9-10-15(11-14(13)5-2)18(20)16-7-6-8-17(19)12(16)3/h6-11,18H,4-5H2,1-3H3
InChIKeyIWMBLQGTUJTUKV-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.26
LogP ≤ 56.10
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

1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-fluorobenzene
CID 115482870
1-[chloro-(3,4-diethylphenyl)methyl]-2-fluoro-4-methylbenzene
CID 115482844
1-chloro-3-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methylbenzene
CID 107099070
2-[chloro-(3,4-diethylphenyl)methyl]-5-methylfuran
CID 113319198
(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine
CID 115481980
1-[chloro-(3,4-diethylphenyl)methyl]-3,5-difluorobenzene
CID 115482894
1-(3,4-diethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115482234
1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 55199111
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 115482816
1-[(3-bromo-4-ethoxyphenyl)-chloromethyl]-2-chloro-3-methylbenzene
CID 104661490
1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene
CID 81308392
1-[chloro-(4-propan-2-ylphenyl)methyl]-2,3-dimethylbenzene
CID 63435435

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene?
The IUPAC name of 1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene (CID 107099347) is 1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene.
What is the SMILES notation for 1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene?
The canonical SMILES for 1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene is CCc1ccc(C(Cl)c2cccc(Cl)c2C)cc1CC.
What is the InChIKey of 1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene?
The InChIKey is IWMBLQGTUJTUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2/c1-4-13-9-10-15(11-14(13)5-2)18(20)16-7-6-8-17(19)12(16)3/h6-11,18H,4-5H2,1-3H3.
What are the key properties of 1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene?
1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene has a molecular weight of 307.26 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[chloro-(3,4-diethylphenyl)methyl]-2-methylbenzene is sourced from PubChem (CID 107099347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).