2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene

C15H16S — CID 134838043

IUPAC2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene
SMILESC=CCc1c(C)cc(C)cc1-c1cccs1
InChIInChI=1S/C15H16S/c1-4-6-13-12(3)9-11(2)10-14(13)15-7-5-8-16-15/h4-5,7-10H,1,6H2,2-3H3
InChIKeyYDIIBVRQCBLNKW-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.76
Rot. Bonds3

About 2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene

2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene (PubChem CID 134838043) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene
PubChem CID134838043
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene
SMILESC=CCc1c(C)cc(C)cc1-c1cccs1
InChIInChI=1S/C15H16S/c1-4-6-13-12(3)9-11(2)10-14(13)15-7-5-8-16-15/h4-5,7-10H,1,6H2,2-3H3
InChIKeyYDIIBVRQCBLNKW-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene?
The IUPAC name of 2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene (CID 134838043) is 2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene.
What is the SMILES notation for 2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene?
The canonical SMILES for 2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene is C=CCc1c(C)cc(C)cc1-c1cccs1.
What is the InChIKey of 2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene?
The InChIKey is YDIIBVRQCBLNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-4-6-13-12(3)9-11(2)10-14(13)15-7-5-8-16-15/h4-5,7-10H,1,6H2,2-3H3.
What are the key properties of 2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene?
2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene has a molecular weight of 228.36 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-prop-2-enylphenyl)thiophene is sourced from PubChem (CID 134838043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).