1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene

C19H23Cl — CID 63432561

IUPAC1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene
SMILESCCCc1ccc(C(Cl)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23Cl/c1-4-5-15-6-8-17(9-7-15)19(20)18-12-10-16(11-13-18)14(2)3/h6-14,19H,4-5H2,1-3H3
InChIKeyQAIWJRBIKIUAMK-UHFFFAOYSA-N
MW286.85 g/mol
LogP6.09
Rot. Bonds5

About 1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene

1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene (PubChem CID 63432561) has the molecular formula C19H23Cl and a molecular weight of 286.85 g/mol. Its IUPAC name is 1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene
PubChem CID63432561
Molecular FormulaC19H23Cl
Molecular Weight286.85 g/mol
Exact Mass286.15
IUPAC Name1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene
SMILESCCCc1ccc(C(Cl)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23Cl/c1-4-5-15-6-8-17(9-7-15)19(20)18-12-10-16(11-13-18)14(2)3/h6-14,19H,4-5H2,1-3H3
InChIKeyQAIWJRBIKIUAMK-UHFFFAOYSA-N
XLogP6.09
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 ≤ 56.09
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

1,4-di(propan-2-yl)benzene;propylbenzene
CID 174543060
2-[chloro-(4-propylphenyl)methyl]naphthalene
CID 63432067
1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene
CID 107955938
4-[chloro-(4-propylphenyl)methyl]-2-methylfuran
CID 114822429
2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene
CID 63432524
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-(1-chloropropyl)-4-propylbenzene
CID 63432383
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 55199662
4-butylbenzenethiol;4-propan-2-ylbenzenethiol
CID 162129320
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
1-bromo-4-chloro-2-[chloro-(4-propylphenyl)methyl]benzene
CID 114027818

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene?
The IUPAC name of 1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene (CID 63432561) is 1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene.
What is the SMILES notation for 1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene?
The canonical SMILES for 1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene is CCCc1ccc(C(Cl)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene?
The InChIKey is QAIWJRBIKIUAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl/c1-4-5-15-6-8-17(9-7-15)19(20)18-12-10-16(11-13-18)14(2)3/h6-14,19H,4-5H2,1-3H3.
What are the key properties of 1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene?
1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene has a molecular weight of 286.85 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene is sourced from PubChem (CID 63432561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).