5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene

C15H16BrClS — CID 102764996

IUPAC5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
SMILESCc1cc(C(Br)c2ccc(C(C)C)cc2)sc1Cl
InChIInChI=1S/C15H16BrClS/c1-9(2)11-4-6-12(7-5-11)14(16)13-8-10(3)15(17)18-13/h4-9,14H,1-3H3
InChIKeyYQOLZXUETAYXCS-UHFFFAOYSA-N
MW343.72 g/mol
LogP6.32
Rot. Bonds3

About 5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene

5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene (PubChem CID 102764996) has the molecular formula C15H16BrClS and a molecular weight of 343.72 g/mol. Its IUPAC name is 5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene.

Molecular Properties

Compound Name5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
PubChem CID102764996
Molecular FormulaC15H16BrClS
Molecular Weight343.72 g/mol
Exact Mass341.98
IUPAC Name5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
SMILESCc1cc(C(Br)c2ccc(C(C)C)cc2)sc1Cl
InChIInChI=1S/C15H16BrClS/c1-9(2)11-4-6-12(7-5-11)14(16)13-8-10(3)15(17)18-13/h4-9,14H,1-3H3
InChIKeyYQOLZXUETAYXCS-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.72
LogP ≤ 56.32
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-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene
CID 102764917
4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
CID 102764905
5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764894
5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764936
2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran
CID 102765077
3-bromo-5-[bromo-(4-methylsulfanylphenyl)methyl]-2-chlorothiophene
CID 102837148
5-[bromo-(4-propan-2-yloxyphenyl)methyl]-2,3-dimethylthiophene
CID 65237949
5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764860
5-[bromo-(2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764907
5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chloro-3-methylthiophene
CID 102765037
2-[bromo-(4-propan-2-ylphenyl)methyl]-1-benzothiophene
CID 63443757
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene?
The IUPAC name of 5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene (CID 102764996) is 5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene.
What is the SMILES notation for 5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene?
The canonical SMILES for 5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene is Cc1cc(C(Br)c2ccc(C(C)C)cc2)sc1Cl.
What is the InChIKey of 5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene?
The InChIKey is YQOLZXUETAYXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClS/c1-9(2)11-4-6-12(7-5-11)14(16)13-8-10(3)15(17)18-13/h4-9,14H,1-3H3.
What are the key properties of 5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene?
5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene has a molecular weight of 343.72 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene is sourced from PubChem (CID 102764996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).