2-[4-(chloromethyl)phenyl]thiophene

C11H9ClS — CID 21186166

IUPAC2-[4-(chloromethyl)phenyl]thiophene
SMILESClCc1ccc(-c2cccs2)cc1
InChIInChI=1S/C11H9ClS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8H2
InChIKeyRBDDRTHNIQZYPD-UHFFFAOYSA-N
MW208.71 g/mol
LogP4.15
Rot. Bonds2

About 2-[4-(chloromethyl)phenyl]thiophene

2-[4-(chloromethyl)phenyl]thiophene (PubChem CID 21186166) has the molecular formula C11H9ClS and a molecular weight of 208.71 g/mol. Its IUPAC name is 2-[4-(chloromethyl)phenyl]thiophene.

Molecular Properties

Compound Name2-[4-(chloromethyl)phenyl]thiophene
PubChem CID21186166
Molecular FormulaC11H9ClS
Molecular Weight208.71 g/mol
Exact Mass208.01
IUPAC Name2-[4-(chloromethyl)phenyl]thiophene
SMILESClCc1ccc(-c2cccs2)cc1
InChIInChI=1S/C11H9ClS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8H2
InChIKeyRBDDRTHNIQZYPD-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 54.15
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-(4-thiophen-2-ylphenyl)acetaldehyde
CID 87498538
2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide
CID 146105331
2-[4-(4-but-3-enylphenyl)phenyl]thiophene
CID 142376993
1-phenyl-2-(4-thiophen-2-ylphenyl)ethanamine
CID 82542180
4-thiophen-2-ylbenzoyl chloride
CID 158319353
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
1-(chloromethyl)-4-phenylbenzene
CID 15463
(3-thiophen-2-ylphenyl)methanol
CID 7537586
2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 129411324
2-[4-(4-ethenylphenyl)phenyl]thiophene
CID 139982271
diphenyl-(4-thiophen-2-ylphenyl)sulfanium chloride
CID 172791723
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)phenyl]thiophene?
The IUPAC name of 2-[4-(chloromethyl)phenyl]thiophene (CID 21186166) is 2-[4-(chloromethyl)phenyl]thiophene.
What is the SMILES notation for 2-[4-(chloromethyl)phenyl]thiophene?
The canonical SMILES for 2-[4-(chloromethyl)phenyl]thiophene is ClCc1ccc(-c2cccs2)cc1.
What is the InChIKey of 2-[4-(chloromethyl)phenyl]thiophene?
The InChIKey is RBDDRTHNIQZYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8H2.
What are the key properties of 2-[4-(chloromethyl)phenyl]thiophene?
2-[4-(chloromethyl)phenyl]thiophene has a molecular weight of 208.71 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)phenyl]thiophene is sourced from PubChem (CID 21186166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).