1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene

C44H62Cl2 — CID 167533649

IUPAC1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene
SMILESCC1CC1.CC1CCC1.CC1CCCC1.Cc1ccc(C)cc1.Cc1cccc(Cl)c1.Cc1ccccc1.Cc1ccccc1Cl
InChIInChI=1S/C8H10.2C7H7Cl.C7H8.C6H12.C5H10.C4H8/c1-7-3-5-8(2)6-4-7;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5;1-4-2-3-4/h3-6H,1-2H3;2*2-5H,1H3;2-6H,1H3;6H,2-5H2,1H3;5H,2-4H2,1H3;4H,2-3H2,1H3
InChIKeyAHJMJQBJFLPLFI-UHFFFAOYSA-N
MW661.89 g/mol
LogP15.01
Rot. Bonds

About 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene

1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene (PubChem CID 167533649) has the molecular formula C44H62Cl2 and a molecular weight of 661.89 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene.

Molecular Properties

Compound Name1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene
PubChem CID167533649
Molecular FormulaC44H62Cl2
Molecular Weight661.89 g/mol
Exact Mass660.42
IUPAC Name1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene
SMILESCC1CC1.CC1CCC1.CC1CCCC1.Cc1ccc(C)cc1.Cc1cccc(Cl)c1.Cc1ccccc1.Cc1ccccc1Cl
InChIInChI=1S/C8H10.2C7H7Cl.C7H8.C6H12.C5H10.C4H8/c1-7-3-5-8(2)6-4-7;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5;1-4-2-3-4/h3-6H,1-2H3;2*2-5H,1H3;2-6H,1H3;6H,2-5H2,1H3;5H,2-4H2,1H3;4H,2-3H2,1H3
InChIKeyAHJMJQBJFLPLFI-UHFFFAOYSA-N
XLogP15.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.89
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene with MolForge

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Related Compounds

1-chloro-2-methylbenzene;ethane;methylcyclopentane
CID 164862819
1,3-dimethylcyclohexane;methylcyclobutane;methylcyclohexane;methylcyclopentane;1,2,3,5-tetramethylbenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161051504
methylcyclopentane;1,3-xylene
CID 142361462
cyclohexene;methylcyclohexane;toluene
CID 158972627
bromomethane;chloromethane;1,4-dimethylcyclohexane;ethane;methoxymethane;methylcyclohexane;propane;toluene;undecakis(1,4-xylene)
CID 162039295
2-methyladamantane;methylcyclohexane;methylcyclopentane;1,2-xylene;1,3-xylene;1,4-xylene
CID 159060906
tris(1-chloro-3-methylbenzene);ethane
CID 143147725
1-fluoro-4-methylbenzene;methylcyclobutane;toluene
CID 145168505
ethane;methylcyclohexane;4-methylphenol;toluene
CID 142029697
ethane;methylcyclohexane;4-methylphenol;toluene
CID 142029696
ethane;methylcyclopropane;1,3-xylene
CID 142338532
cis-(1S,3R)-1,3-dimethylcyclohexane;ethane;1,3-xylene
CID 157490962

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene?
The IUPAC name of 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene (CID 167533649) is 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene.
What is the SMILES notation for 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene?
The canonical SMILES for 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene is CC1CC1.CC1CCC1.CC1CCCC1.Cc1ccc(C)cc1.Cc1cccc(Cl)c1.Cc1ccccc1.Cc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene?
The InChIKey is AHJMJQBJFLPLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C7H7Cl.C7H8.C6H12.C5H10.C4H8/c1-7-3-5-8(2)6-4-7;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;1-5-3-2-4-5;1-4-2-3-4/h3-6H,1-2H3;2*2-5H,1H3;2-6H,1H3;6H,2-5H2,1H3;5H,2-4H2,1H3;4H,2-3H2,1H3.
What are the key properties of 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene?
1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene has a molecular weight of 661.89 g/mol, XLogP of 15.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;methylcyclobutane;methylcyclopentane;methylcyclopropane;toluene;1,4-xylene is sourced from PubChem (CID 167533649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).