1-benzyl-2-methylbenzene;hydrochloride

C14H15Cl — CID 139328614

IUPAC1-benzyl-2-methylbenzene;hydrochloride
SMILESCc1ccccc1Cc1ccccc1.Cl
InChIInChI=1S/C14H14.ClH/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13;/h2-10H,11H2,1H3;1H
InChIKeyYXVFCRKYOAFHEX-UHFFFAOYSA-N
MW218.73 g/mol
LogP4.01
Rot. Bonds2

About 1-benzyl-2-methylbenzene;hydrochloride

1-benzyl-2-methylbenzene;hydrochloride (PubChem CID 139328614) has the molecular formula C14H15Cl and a molecular weight of 218.73 g/mol. Its IUPAC name is 1-benzyl-2-methylbenzene;hydrochloride.

Molecular Properties

Compound Name1-benzyl-2-methylbenzene;hydrochloride
PubChem CID139328614
Molecular FormulaC14H15Cl
Molecular Weight218.73 g/mol
Exact Mass218.09
IUPAC Name1-benzyl-2-methylbenzene;hydrochloride
SMILESCc1ccccc1Cc1ccccc1.Cl
InChIInChI=1S/C14H14.ClH/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13;/h2-10H,11H2,1H3;1H
InChIKeyYXVFCRKYOAFHEX-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methylbenzene;hydrochloride?
The IUPAC name of 1-benzyl-2-methylbenzene;hydrochloride (CID 139328614) is 1-benzyl-2-methylbenzene;hydrochloride.
What is the SMILES notation for 1-benzyl-2-methylbenzene;hydrochloride?
The canonical SMILES for 1-benzyl-2-methylbenzene;hydrochloride is Cc1ccccc1Cc1ccccc1.Cl.
What is the InChIKey of 1-benzyl-2-methylbenzene;hydrochloride?
The InChIKey is YXVFCRKYOAFHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.ClH/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13;/h2-10H,11H2,1H3;1H.
What are the key properties of 1-benzyl-2-methylbenzene;hydrochloride?
1-benzyl-2-methylbenzene;hydrochloride has a molecular weight of 218.73 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methylbenzene;hydrochloride is sourced from PubChem (CID 139328614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).