2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene

C14H15ClS — CID 169286654

IUPAC2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene
SMILESCC(C)Cc1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H15ClS/c1-10(2)9-13-7-8-14(16-13)11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3
InChIKeyBTRPIQNDLXZMPK-UHFFFAOYSA-N
MW250.79 g/mol
LogP5.27
Rot. Bonds3

About 2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene

2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene (PubChem CID 169286654) has the molecular formula C14H15ClS and a molecular weight of 250.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene
PubChem CID169286654
Molecular FormulaC14H15ClS
Molecular Weight250.79 g/mol
Exact Mass250.06
IUPAC Name2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene
SMILESCC(C)Cc1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H15ClS/c1-10(2)9-13-7-8-14(16-13)11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3
InChIKeyBTRPIQNDLXZMPK-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.79
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[5-(4-chlorophenyl)thiophen-2-yl]methanamine
CID 5224402
2,5-bis(4-chlorophenyl)thiophene
CID 3588046
2-(4-chlorophenyl)-5-methylthiophene
CID 13356220
N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]formamide
CID 91219861
(2R)-1-(5-phenylthiophen-2-yl)propan-2-amine
CID 18656702
2-[[5-(4-chlorophenyl)thiophen-2-yl]methylamino]ethanol
CID 110879164
2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide
CID 42948770
N-[3-[5-(4-chlorophenyl)thiophen-2-yl]prop-2-enyl]-2-methylpropan-1-amine
CID 79347427
2-[2-acetamidoethyl-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]amino]propanoic acid
CID 122039264
N-[[5-(4-propan-2-ylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287239
2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine
CID 94274161
1-[5-(4-chlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43287778

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene?
The IUPAC name of 2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene (CID 169286654) is 2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene?
The canonical SMILES for 2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene is CC(C)Cc1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene?
The InChIKey is BTRPIQNDLXZMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClS/c1-10(2)9-13-7-8-14(16-13)11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene?
2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene has a molecular weight of 250.79 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene is sourced from PubChem (CID 169286654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).