2-chloro-5-[(4-methylphenyl)methyl]thiophene

C12H11ClS — CID 142995810

IUPAC2-chloro-5-[(4-methylphenyl)methyl]thiophene
SMILESCc1ccc(Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C12H11ClS/c1-9-2-4-10(5-3-9)8-11-6-7-12(13)14-11/h2-7H,8H2,1H3
InChIKeyHXQSTVZTYGDKJM-UHFFFAOYSA-N
MW222.74 g/mol
LogP4.30
Rot. Bonds2

About 2-chloro-5-[(4-methylphenyl)methyl]thiophene

2-chloro-5-[(4-methylphenyl)methyl]thiophene (PubChem CID 142995810) has the molecular formula C12H11ClS and a molecular weight of 222.74 g/mol. Its IUPAC name is 2-chloro-5-[(4-methylphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[(4-methylphenyl)methyl]thiophene
PubChem CID142995810
Molecular FormulaC12H11ClS
Molecular Weight222.74 g/mol
Exact Mass222.03
IUPAC Name2-chloro-5-[(4-methylphenyl)methyl]thiophene
SMILESCc1ccc(Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C12H11ClS/c1-9-2-4-10(5-3-9)8-11-6-7-12(13)14-11/h2-7H,8H2,1H3
InChIKeyHXQSTVZTYGDKJM-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

1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 63416020
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356848
N'-[(5-chlorothiophen-2-yl)methyl]-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618933
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline
CID 115212752
1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene
CID 22408145
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065578
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18093995
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine
CID 103438323
N-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62554583
2-chloro-5-[(1-methoxy-4-methylnaphthalen-2-yl)methyl]thiophene
CID 58242573
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63412241
5-[5-[(4-methylphenyl)methyl]thiophen-2-yl]-5-oxopentanoic acid
CID 10851902

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methylphenyl)methyl]thiophene?
The IUPAC name of 2-chloro-5-[(4-methylphenyl)methyl]thiophene (CID 142995810) is 2-chloro-5-[(4-methylphenyl)methyl]thiophene.
What is the SMILES notation for 2-chloro-5-[(4-methylphenyl)methyl]thiophene?
The canonical SMILES for 2-chloro-5-[(4-methylphenyl)methyl]thiophene is Cc1ccc(Cc2ccc(Cl)s2)cc1.
What is the InChIKey of 2-chloro-5-[(4-methylphenyl)methyl]thiophene?
The InChIKey is HXQSTVZTYGDKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClS/c1-9-2-4-10(5-3-9)8-11-6-7-12(13)14-11/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-5-[(4-methylphenyl)methyl]thiophene?
2-chloro-5-[(4-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-chloro-5-[(4-methylphenyl)methyl]thiophene is sourced from PubChem (CID 142995810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).