1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene

C20H25Cl — CID 66259588

IUPAC1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene
SMILESCCc1ccc(C(Cl)c2ccc(C(C)(C)CC)cc2)cc1
InChIInChI=1S/C20H25Cl/c1-5-15-7-9-16(10-8-15)19(21)17-11-13-18(14-12-17)20(3,4)6-2/h7-14,19H,5-6H2,1-4H3
InChIKeyYQMZFHXBQBXYNX-UHFFFAOYSA-N
MW300.87 g/mol
LogP6.26
Rot. Bonds5

About 1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene

1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene (PubChem CID 66259588) has the molecular formula C20H25Cl and a molecular weight of 300.87 g/mol. Its IUPAC name is 1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene
PubChem CID66259588
Molecular FormulaC20H25Cl
Molecular Weight300.87 g/mol
Exact Mass300.16
IUPAC Name1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene
SMILESCCc1ccc(C(Cl)c2ccc(C(C)(C)CC)cc2)cc1
InChIInChI=1S/C20H25Cl/c1-5-15-7-9-16(10-8-15)19(21)17-11-13-18(14-12-17)20(3,4)6-2/h7-14,19H,5-6H2,1-4H3
InChIKeyYQMZFHXBQBXYNX-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.87
LogP ≤ 56.26
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-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
1-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-2,4-difluorobenzene
CID 66260161
4-[chloro-(4-ethylphenyl)methyl]pyridine
CID 114996829
2-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-1,4-dimethylbenzene
CID 66258234
1-[(1S)-1-iodoethyl]-4-(2-methylbutan-2-yl)benzene
CID 118596148
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
1-(1-chlorohexyl)-4-(2-methylbutan-2-yl)benzene
CID 66258041
1-tert-butyl-4-ethylbenzene
CID 157359507
4-bromo-1-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-2-fluorobenzene
CID 66257841
1-ethyl-4-(3-methylpentan-3-yl)benzene
CID 154560765
1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene
CID 83149462

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene (CID 66259588) is 1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene is CCc1ccc(C(Cl)c2ccc(C(C)(C)CC)cc2)cc1.
What is the InChIKey of 1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene?
The InChIKey is YQMZFHXBQBXYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl/c1-5-15-7-9-16(10-8-15)19(21)17-11-13-18(14-12-17)20(3,4)6-2/h7-14,19H,5-6H2,1-4H3.
What are the key properties of 1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene?
1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene has a molecular weight of 300.87 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 66259588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).