1-chloro-4-methylbenzene;ethane;toluene

C18H27Cl — CID 159482529

IUPAC1-chloro-4-methylbenzene;ethane;toluene
SMILESCC.CC.Cc1ccc(Cl)cc1.Cc1ccccc1
InChIInChI=1S/C7H7Cl.C7H8.2C2H6/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;2*1-2/h2-5H,1H3;2-6H,1H3;2*1-2H3
InChIKeyLXEHBRXXTVQDEI-UHFFFAOYSA-N
MW278.87 g/mol
LogP6.70
Rot. Bonds

About 1-chloro-4-methylbenzene;ethane;toluene

1-chloro-4-methylbenzene;ethane;toluene (PubChem CID 159482529) has the molecular formula C18H27Cl and a molecular weight of 278.87 g/mol. Its IUPAC name is 1-chloro-4-methylbenzene;ethane;toluene.

Molecular Properties

Compound Name1-chloro-4-methylbenzene;ethane;toluene
PubChem CID159482529
Molecular FormulaC18H27Cl
Molecular Weight278.87 g/mol
Exact Mass278.18
IUPAC Name1-chloro-4-methylbenzene;ethane;toluene
SMILESCC.CC.Cc1ccc(Cl)cc1.Cc1ccccc1
InChIInChI=1S/C7H7Cl.C7H8.2C2H6/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;2*1-2/h2-5H,1H3;2-6H,1H3;2*1-2H3
InChIKeyLXEHBRXXTVQDEI-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.87
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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radon;toluene;1,4-xylene
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benzene;toluene
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CID 101240530
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CID 22023820
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ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
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CID 157456524

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylbenzene;ethane;toluene?
The IUPAC name of 1-chloro-4-methylbenzene;ethane;toluene (CID 159482529) is 1-chloro-4-methylbenzene;ethane;toluene.
What is the SMILES notation for 1-chloro-4-methylbenzene;ethane;toluene?
The canonical SMILES for 1-chloro-4-methylbenzene;ethane;toluene is CC.CC.Cc1ccc(Cl)cc1.Cc1ccccc1.
What is the InChIKey of 1-chloro-4-methylbenzene;ethane;toluene?
The InChIKey is LXEHBRXXTVQDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.C7H8.2C2H6/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;2*1-2/h2-5H,1H3;2-6H,1H3;2*1-2H3.
What are the key properties of 1-chloro-4-methylbenzene;ethane;toluene?
1-chloro-4-methylbenzene;ethane;toluene has a molecular weight of 278.87 g/mol, XLogP of 6.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylbenzene;ethane;toluene is sourced from PubChem (CID 159482529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).