3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene

C15H16OS — CID 172650424

IUPAC3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene
SMILESC=Cc1cc(OC(C)C)cc(-c2ccsc2)c1
InChIInChI=1S/C15H16OS/c1-4-12-7-14(13-5-6-17-10-13)9-15(8-12)16-11(2)3/h4-11H,1H2,2-3H3
InChIKeyVVBBJXIQGPMXLS-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.85
Rot. Bonds4

About 3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene

3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene (PubChem CID 172650424) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene.

Molecular Properties

Compound Name3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene
PubChem CID172650424
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene
SMILESC=Cc1cc(OC(C)C)cc(-c2ccsc2)c1
InChIInChI=1S/C15H16OS/c1-4-12-7-14(13-5-6-17-10-13)9-15(8-12)16-11(2)3/h4-11H,1H2,2-3H3
InChIKeyVVBBJXIQGPMXLS-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yloxy-5-thiophen-3-ylaniline
CID 172650308
3-(3-ethenyl-5-methylphenyl)thiophene
CID 172650410
1-bromo-3-ethenyl-5-propan-2-yloxybenzene
CID 156599987
4-ethenylphenol;1-ethenyl-4-propan-2-yloxybenzene
CID 67420429
3-methoxy-5-thiophen-3-ylphenol
CID 53220697
3-(2-ethenyl-5-methoxyphenyl)thiophene
CID 172650339
3-nitro-5-propan-2-yloxy-N-(1-thiophen-3-ylethyl)aniline
CID 80731798
3-(4-chloro-3-ethenylphenyl)thiophene
CID 172650432
1-ethenyl-3-(1-propan-2-yloxyethoxy)benzene
CID 22184224
3-(3-pent-4-enoxyphenyl)thiophene
CID 19086978
3-(2-ethenyl-4-methylphenyl)thiophene
CID 172650348
3-chloro-5-propan-2-yloxybenzaldehyde
CID 131540218

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene?
The IUPAC name of 3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene (CID 172650424) is 3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene.
What is the SMILES notation for 3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene?
The canonical SMILES for 3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene is C=Cc1cc(OC(C)C)cc(-c2ccsc2)c1.
What is the InChIKey of 3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene?
The InChIKey is VVBBJXIQGPMXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-4-12-7-14(13-5-6-17-10-13)9-15(8-12)16-11(2)3/h4-11H,1H2,2-3H3.
What are the key properties of 3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene?
3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene has a molecular weight of 244.36 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene is sourced from PubChem (CID 172650424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).