2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene

C18H15BrS — CID 63437840

IUPAC2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene
SMILESCc1ccsc1C(Br)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15BrS/c1-13-11-12-20-18(13)17(19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12,17H,1H3
InChIKeyWGWPLVIFHBAUKY-UHFFFAOYSA-N
MW343.29 g/mol
LogP6.21
Rot. Bonds3

About 2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene

2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene (PubChem CID 63437840) has the molecular formula C18H15BrS and a molecular weight of 343.29 g/mol. Its IUPAC name is 2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene
PubChem CID63437840
Molecular FormulaC18H15BrS
Molecular Weight343.29 g/mol
Exact Mass342.01
IUPAC Name2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene
SMILESCc1ccsc1C(Br)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15BrS/c1-13-11-12-20-18(13)17(19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12,17H,1H3
InChIKeyWGWPLVIFHBAUKY-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.29
LogP ≤ 56.21
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

2-[bromo-(4-phenylphenyl)methyl]-3-methoxythiophene
CID 81119082
2-[bromo-(3,4-dimethylphenyl)methyl]-3-methylthiophene
CID 63435676
2-[bromo-(3,4-dichlorophenyl)methyl]-3-methylthiophene
CID 63444838
2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene
CID 61098512
2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene
CID 103404648
3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene
CID 80641280
2-[bromo-(4-methoxyphenyl)methyl]-3-chlorothiophene
CID 80531532
2-[bromo-(4-methoxy-3-methylphenyl)methyl]-3-chlorothiophene
CID 80642142
N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine
CID 70397425
2-[bromo-(3,5-dimethylphenyl)methyl]-3-chlorothiophene
CID 80530329
(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine
CID 79972493
N-methyl-1-(3-methylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006723

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene?
The IUPAC name of 2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene (CID 63437840) is 2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene?
The canonical SMILES for 2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene is Cc1ccsc1C(Br)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene?
The InChIKey is WGWPLVIFHBAUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrS/c1-13-11-12-20-18(13)17(19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12,17H,1H3.
What are the key properties of 2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene?
2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene has a molecular weight of 343.29 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene is sourced from PubChem (CID 63437840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).