2-(3-phenylpropyl)thiophene-3-carbaldehyde

C14H14OS — CID 172556049

IUPAC2-(3-phenylpropyl)thiophene-3-carbaldehyde
SMILESO=Cc1ccsc1CCCc1ccccc1
InChIInChI=1S/C14H14OS/c15-11-13-9-10-16-14(13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2
InChIKeyYFGLMULEYMUUEM-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.74
Rot. Bonds5

About 2-(3-phenylpropyl)thiophene-3-carbaldehyde

2-(3-phenylpropyl)thiophene-3-carbaldehyde (PubChem CID 172556049) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-(3-phenylpropyl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-phenylpropyl)thiophene-3-carbaldehyde
PubChem CID172556049
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name2-(3-phenylpropyl)thiophene-3-carbaldehyde
SMILESO=Cc1ccsc1CCCc1ccccc1
InChIInChI=1S/C14H14OS/c15-11-13-9-10-16-14(13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2
InChIKeyYFGLMULEYMUUEM-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid
CID 15666610
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine
CID 114333451
4-phenylbutylbenzene
CID 141301927
2-hydroxy-5-(4-phenylbutyl)benzaldehyde
CID 166610719
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
2-bromo-5-phenylpentanal
CID 121216418
3-(2-hexylthiophen-3-yl)prop-2-enal
CID 173172239
1-(3-chlorothiophen-2-yl)-4-phenylbutan-1-one
CID 114969877
5-methyl-2-(3-phenylpropoxy)benzaldehyde
CID 54794870

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)thiophene-3-carbaldehyde?
The IUPAC name of 2-(3-phenylpropyl)thiophene-3-carbaldehyde (CID 172556049) is 2-(3-phenylpropyl)thiophene-3-carbaldehyde.
What is the SMILES notation for 2-(3-phenylpropyl)thiophene-3-carbaldehyde?
The canonical SMILES for 2-(3-phenylpropyl)thiophene-3-carbaldehyde is O=Cc1ccsc1CCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropyl)thiophene-3-carbaldehyde?
The InChIKey is YFGLMULEYMUUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c15-11-13-9-10-16-14(13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2.
What are the key properties of 2-(3-phenylpropyl)thiophene-3-carbaldehyde?
2-(3-phenylpropyl)thiophene-3-carbaldehyde has a molecular weight of 230.33 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)thiophene-3-carbaldehyde is sourced from PubChem (CID 172556049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).