3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene

C17H12Cl2S — CID 80641280

IUPAC3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene
SMILESClc1ccsc1C(Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H12Cl2S/c18-15-10-11-20-17(15)16(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,16H
InChIKeyBURJHPUSCXUJAQ-UHFFFAOYSA-N
MW319.26 g/mol
LogP6.40
Rot. Bonds3

About 3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene

3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene (PubChem CID 80641280) has the molecular formula C17H12Cl2S and a molecular weight of 319.26 g/mol. Its IUPAC name is 3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene.

Molecular Properties

Compound Name3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene
PubChem CID80641280
Molecular FormulaC17H12Cl2S
Molecular Weight319.26 g/mol
Exact Mass318.00
IUPAC Name3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene
SMILESClc1ccsc1C(Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H12Cl2S/c18-15-10-11-20-17(15)16(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,16H
InChIKeyBURJHPUSCXUJAQ-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.26
LogP ≤ 56.40
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

3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene
CID 80530382
3-chloro-2-[chloro-(4-ethylphenyl)methyl]thiophene
CID 80530507
3-[chloro-(3-chlorothiophen-2-yl)methyl]-9H-carbazole
CID 80645382
4-[chloro-(3-chlorothiophen-2-yl)methyl]-1-phenylpyrazole
CID 80641516
2-[(3-bromo-4-methylphenyl)-chloromethyl]-3-chlorothiophene
CID 81476818
2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene
CID 63437840
6-[chloro-(3-chlorothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 80530414
2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80530251
3-bromo-2-[chloro-(4-chlorophenyl)methyl]thiophene
CID 63798177
3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene
CID 80530289
3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene
CID 80530505
2-[chloro-(4-phenylphenyl)methyl]-5-methylfuran
CID 63429545

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene?
The IUPAC name of 3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene (CID 80641280) is 3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene.
What is the SMILES notation for 3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene?
The canonical SMILES for 3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene is Clc1ccsc1C(Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene?
The InChIKey is BURJHPUSCXUJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2S/c18-15-10-11-20-17(15)16(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,16H.
What are the key properties of 3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene?
3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene has a molecular weight of 319.26 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[chloro-(4-phenylphenyl)methyl]thiophene is sourced from PubChem (CID 80641280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).