5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene

C19H25ClS — CID 65237895

IUPAC5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene
SMILESCc1cc(C(Cl)c2ccc(C(C)C)cc2C(C)C)sc1C
InChIInChI=1S/C19H25ClS/c1-11(2)15-7-8-16(17(10-15)12(3)4)19(20)18-9-13(5)14(6)21-18/h7-12,19H,1-6H3
InChIKeyNCZCZCANSHFXCK-UHFFFAOYSA-N
MW320.93 g/mol
LogP6.94
Rot. Bonds4

About 5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene

5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene (PubChem CID 65237895) has the molecular formula C19H25ClS and a molecular weight of 320.93 g/mol. Its IUPAC name is 5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene.

Molecular Properties

Compound Name5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene
PubChem CID65237895
Molecular FormulaC19H25ClS
Molecular Weight320.93 g/mol
Exact Mass320.14
IUPAC Name5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene
SMILESCc1cc(C(Cl)c2ccc(C(C)C)cc2C(C)C)sc1C
InChIInChI=1S/C19H25ClS/c1-11(2)15-7-8-16(17(10-15)12(3)4)19(20)18-9-13(5)14(6)21-18/h7-12,19H,1-6H3
InChIKeyNCZCZCANSHFXCK-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.93
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dimethylthiophene
CID 65238243
1-[chloro-(3-methylphenyl)methyl]-2,4-di(propan-2-yl)benzene
CID 63431573
3-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2-methylfuran
CID 63431355
2-bromo-5-[chloro-(4-propan-2-ylphenyl)methyl]-3-methylthiophene
CID 79996665
5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene
CID 65238549
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran
CID 79096016
(2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 107960514
5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene
CID 80537402
2,3-dibromo-5-[chloro-(4-propan-2-ylphenyl)methyl]thiophene
CID 80534087
1-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2,4-di(propan-2-yl)benzene
CID 66475812
2,4-di(propan-2-yl)phenol
CID 18048

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene?
The IUPAC name of 5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene (CID 65237895) is 5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene.
What is the SMILES notation for 5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene?
The canonical SMILES for 5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene is Cc1cc(C(Cl)c2ccc(C(C)C)cc2C(C)C)sc1C.
What is the InChIKey of 5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene?
The InChIKey is NCZCZCANSHFXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClS/c1-11(2)15-7-8-16(17(10-15)12(3)4)19(20)18-9-13(5)14(6)21-18/h7-12,19H,1-6H3.
What are the key properties of 5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene?
5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene has a molecular weight of 320.93 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2,3-dimethylthiophene is sourced from PubChem (CID 65237895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).