2-[(2-chlorophenyl)methyl]-5-ethylthiophene

C13H13ClS — CID 58178507

IUPAC2-[(2-chlorophenyl)methyl]-5-ethylthiophene
SMILESCCc1ccc(Cc2ccccc2Cl)s1
InChIInChI=1S/C13H13ClS/c1-2-11-7-8-12(15-11)9-10-5-3-4-6-13(10)14/h3-8H,2,9H2,1H3
InChIKeyXIRWSKPELCOMPB-UHFFFAOYSA-N
MW236.77 g/mol
LogP4.55
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-5-ethylthiophene

2-[(2-chlorophenyl)methyl]-5-ethylthiophene (PubChem CID 58178507) has the molecular formula C13H13ClS and a molecular weight of 236.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-ethylthiophene
PubChem CID58178507
Molecular FormulaC13H13ClS
Molecular Weight236.77 g/mol
Exact Mass236.04
IUPAC Name2-[(2-chlorophenyl)methyl]-5-ethylthiophene
SMILESCCc1ccc(Cc2ccccc2Cl)s1
InChIInChI=1S/C13H13ClS/c1-2-11-7-8-12(15-11)9-10-5-3-4-6-13(10)14/h3-8H,2,9H2,1H3
InChIKeyXIRWSKPELCOMPB-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.77
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Chloro-1-benzothiophene
CID 96234
2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene
CID 15616762
Benzo(b)thiophene, chloro-
CID 46371
2,5-Bis(4-chlorophenyl)thiophene
CID 3588046
4-Chloro-1-benzothiophene
CID 12398605
3-Chloro-2-methylbenzo[b]thiophene
CID 11789866
3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide
CID 494170
2-(Benzhydrylsulfinylmethyl)-5-chlorothiophene
CID 137656786
2-Allylsulfanyl-5-(4-chlorophenyl)-3-(trifluoromethyl)thiophene
CID 129708949
Triarathene
CID 6450825
2,4-Dimethyl-5-phenylthiophene
CID 10607839
9VK73H52TF
CID 24195771

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-ethylthiophene?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-ethylthiophene (CID 58178507) is 2-[(2-chlorophenyl)methyl]-5-ethylthiophene.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-ethylthiophene?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-ethylthiophene is CCc1ccc(Cc2ccccc2Cl)s1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-ethylthiophene?
The InChIKey is XIRWSKPELCOMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClS/c1-2-11-7-8-12(15-11)9-10-5-3-4-6-13(10)14/h3-8H,2,9H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-ethylthiophene?
2-[(2-chlorophenyl)methyl]-5-ethylthiophene has a molecular weight of 236.77 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-ethylthiophene is sourced from PubChem (CID 58178507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).