1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene

C15H15Cl — CID 22408145

IUPAC1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2ccc(CCl)cc2)cc1
InChIInChI=1S/C15H15Cl/c1-12-2-4-13(5-3-12)10-14-6-8-15(11-16)9-7-14/h2-9H,10-11H2,1H3
InChIKeyVCRYABXMLNMLFN-UHFFFAOYSA-N
MW230.74 g/mol
LogP4.32
Rot. Bonds3

About 1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene

1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene (PubChem CID 22408145) has the molecular formula C15H15Cl and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene
PubChem CID22408145
Molecular FormulaC15H15Cl
Molecular Weight230.74 g/mol
Exact Mass230.09
IUPAC Name1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene
SMILESCc1ccc(Cc2ccc(CCl)cc2)cc1
InChIInChI=1S/C15H15Cl/c1-12-2-4-13(5-3-12)10-14-6-8-15(11-16)9-7-14/h2-9H,10-11H2,1H3
InChIKeyVCRYABXMLNMLFN-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 54.32
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-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
N-[4-(chloromethyl)phenyl]-N,4-dimethylaniline
CID 55220939
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane
CID 91507263
1-(chloromethyl)-4-ethenylbenzene;1-ethenyl-4-methylbenzene
CID 21201014
[4-(chloromethyl)phenyl]-(4-methylphenyl)methanone
CID 22000974
1-benzyl-4-methylbenzene;toluene
CID 144690555
dimethyl-[4-[(4-methylphenyl)methyl]phenyl]silane
CID 173381996
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647
[4-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]phenyl]methanol
CID 121329886

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene?
The IUPAC name of 1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene (CID 22408145) is 1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene is Cc1ccc(Cc2ccc(CCl)cc2)cc1.
What is the InChIKey of 1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene?
The InChIKey is VCRYABXMLNMLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl/c1-12-2-4-13(5-3-12)10-14-6-8-15(11-16)9-7-14/h2-9H,10-11H2,1H3.
What are the key properties of 1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene?
1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene has a molecular weight of 230.74 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 22408145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).