2-[(3-chloro-2-methylphenyl)methyl]thiophene

C12H11ClS — CID 174830599

IUPAC2-[(3-chloro-2-methylphenyl)methyl]thiophene
SMILESCc1c(Cl)cccc1Cc1cccs1
InChIInChI=1S/C12H11ClS/c1-9-10(4-2-6-12(9)13)8-11-5-3-7-14-11/h2-7H,8H2,1H3
InChIKeyXTVSKSZMBNILRT-UHFFFAOYSA-N
MW222.74 g/mol
LogP4.30
Rot. Bonds2

About 2-[(3-chloro-2-methylphenyl)methyl]thiophene

2-[(3-chloro-2-methylphenyl)methyl]thiophene (PubChem CID 174830599) has the molecular formula C12H11ClS and a molecular weight of 222.74 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-[(3-chloro-2-methylphenyl)methyl]thiophene
PubChem CID174830599
Molecular FormulaC12H11ClS
Molecular Weight222.74 g/mol
Exact Mass222.03
IUPAC Name2-[(3-chloro-2-methylphenyl)methyl]thiophene
SMILESCc1c(Cl)cccc1Cc1cccs1
InChIInChI=1S/C12H11ClS/c1-9-10(4-2-6-12(9)13)8-11-5-3-7-14-11/h2-7H,8H2,1H3
InChIKeyXTVSKSZMBNILRT-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.74
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 54195522
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2-(naphthalen-1-ylmethyl)thiophene
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[1-(3-chloro-2-methylphenyl)-2-thiophen-2-ylethyl]hydrazine
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3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylphenyl)methyl]thiophene?
The IUPAC name of 2-[(3-chloro-2-methylphenyl)methyl]thiophene (CID 174830599) is 2-[(3-chloro-2-methylphenyl)methyl]thiophene.
What is the SMILES notation for 2-[(3-chloro-2-methylphenyl)methyl]thiophene?
The canonical SMILES for 2-[(3-chloro-2-methylphenyl)methyl]thiophene is Cc1c(Cl)cccc1Cc1cccs1.
What is the InChIKey of 2-[(3-chloro-2-methylphenyl)methyl]thiophene?
The InChIKey is XTVSKSZMBNILRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClS/c1-9-10(4-2-6-12(9)13)8-11-5-3-7-14-11/h2-7H,8H2,1H3.
What are the key properties of 2-[(3-chloro-2-methylphenyl)methyl]thiophene?
2-[(3-chloro-2-methylphenyl)methyl]thiophene has a molecular weight of 222.74 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylphenyl)methyl]thiophene is sourced from PubChem (CID 174830599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).