1-chloro-2-methylbenzene;2-methylpropane

C11H17Cl — CID 155693193

IUPAC1-chloro-2-methylbenzene;2-methylpropane
SMILESCC(C)C.Cc1ccccc1Cl
InChIInChI=1S/C7H7Cl.C4H10/c1-6-4-2-3-5-7(6)8;1-4(2)3/h2-5H,1H3;4H,1-3H3
InChIKeyYTFXOAHABQDJDS-UHFFFAOYSA-N
MW184.71 g/mol
LogP4.31
Rot. Bonds

About 1-chloro-2-methylbenzene;2-methylpropane

1-chloro-2-methylbenzene;2-methylpropane (PubChem CID 155693193) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene;2-methylpropane.

Molecular Properties

Compound Name1-chloro-2-methylbenzene;2-methylpropane
PubChem CID155693193
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name1-chloro-2-methylbenzene;2-methylpropane
SMILESCC(C)C.Cc1ccccc1Cl
InChIInChI=1S/C7H7Cl.C4H10/c1-6-4-2-3-5-7(6)8;1-4(2)3/h2-5H,1H3;4H,1-3H3
InChIKeyYTFXOAHABQDJDS-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 10879451
CID 10879451
1-chloro-2-methylbenzene isocyanate
CID 86757710
1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene
CID 166790221
sodium;bis(1-chloro-2-methylbenzene);hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
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CID 158048784
1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
1-chloro-2-methylbenzene;ethane;methylcyclopentane
CID 164862819
1,2-dichlorobenzene;2-methylphenol
CID 159780398
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylbenzene;2-methylpropane?
The IUPAC name of 1-chloro-2-methylbenzene;2-methylpropane (CID 155693193) is 1-chloro-2-methylbenzene;2-methylpropane.
What is the SMILES notation for 1-chloro-2-methylbenzene;2-methylpropane?
The canonical SMILES for 1-chloro-2-methylbenzene;2-methylpropane is CC(C)C.Cc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-methylbenzene;2-methylpropane?
The InChIKey is YTFXOAHABQDJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.C4H10/c1-6-4-2-3-5-7(6)8;1-4(2)3/h2-5H,1H3;4H,1-3H3.
What are the key properties of 1-chloro-2-methylbenzene;2-methylpropane?
1-chloro-2-methylbenzene;2-methylpropane has a molecular weight of 184.71 g/mol, XLogP of 4.31, 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;2-methylpropane is sourced from PubChem (CID 155693193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).