1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene

C19H23Cl — CID 79436182

IUPAC1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene
SMILESCc1ccc(C(CCl)Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23Cl/c1-14(2)17-10-6-16(7-11-17)12-19(13-20)18-8-4-15(3)5-9-18/h4-11,14,19H,12-13H2,1-3H3
InChIKeyALNBSZDXXMVUAK-UHFFFAOYSA-N
MW286.85 g/mol
LogP5.68
Rot. Bonds5

About 1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene

1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene (PubChem CID 79436182) has the molecular formula C19H23Cl and a molecular weight of 286.85 g/mol. Its IUPAC name is 1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene
PubChem CID79436182
Molecular FormulaC19H23Cl
Molecular Weight286.85 g/mol
Exact Mass286.15
IUPAC Name1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene
SMILESCc1ccc(C(CCl)Cc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23Cl/c1-14(2)17-10-6-16(7-11-17)12-19(13-20)18-8-4-15(3)5-9-18/h4-11,14,19H,12-13H2,1-3H3
InChIKeyALNBSZDXXMVUAK-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.85
LogP ≤ 55.68
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-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154
1-(2-chloroethyl)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 159659328
1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene
CID 79435566
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene
CID 91287342
1-bromo-4-[1-chloro-3-(4-chlorophenyl)propan-2-yl]benzene
CID 79434869
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
3,4-bis(4-methylphenyl)butane-1-thiol
CID 175037833
bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
CID 11319478
bis(dichloroosmium);bis(1-methyl-4-propan-2-ylbenzene)
CID 10952856
dichlororuthenium;1-methyl-4-propan-2-ylbenzene
CID 11141294
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene (CID 79436182) is 1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene is Cc1ccc(C(CCl)Cc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene?
The InChIKey is ALNBSZDXXMVUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl/c1-14(2)17-10-6-16(7-11-17)12-19(13-20)18-8-4-15(3)5-9-18/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of 1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene?
1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene has a molecular weight of 286.85 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene is sourced from PubChem (CID 79436182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).