5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde

C14H14O2S — CID 172649491

IUPAC5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde
SMILESCC(C)Oc1ccc(-c2cc(C=O)cs2)cc1
InChIInChI=1S/C14H14O2S/c1-10(2)16-13-5-3-12(4-6-13)14-7-11(8-15)9-17-14/h3-10H,1-2H3
InChIKeyXOVWOQQTFLQRHT-UHFFFAOYSA-N
MW246.33 g/mol
LogP4.01
Rot. Bonds4

About 5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde

5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde (PubChem CID 172649491) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde
PubChem CID172649491
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde
SMILESCC(C)Oc1ccc(-c2cc(C=O)cs2)cc1
InChIInChI=1S/C14H14O2S/c1-10(2)16-13-5-3-12(4-6-13)14-7-11(8-15)9-17-14/h3-10H,1-2H3
InChIKeyXOVWOQQTFLQRHT-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-propan-2-yloxyphenyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]anilino]benzaldehyde
CID 168953005
2-(4-propan-2-yloxyphenyl)thiophene
CID 18387785
(3-formylphenyl) 4-propan-2-yloxybenzoate
CID 23011947
2-methyl-3-(4-propan-2-yloxyphenyl)propanal
CID 20575607
3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde
CID 167055598
3-(4-but-3-en-2-yloxyphenyl)-5-hydroxybenzaldehyde
CID 123304118
2-bromo-4-(4-propan-2-yloxythiophen-2-yl)phenol
CID 174322650
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 82472063
3-chloro-5-propan-2-yloxybenzaldehyde
CID 131540218
3-chloro-4-(3-propan-2-yloxyphenyl)benzaldehyde
CID 114076469
5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 28941882
4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole
CID 79402988

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde?
The IUPAC name of 5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde (CID 172649491) is 5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde.
What is the SMILES notation for 5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde?
The canonical SMILES for 5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde is CC(C)Oc1ccc(-c2cc(C=O)cs2)cc1.
What is the InChIKey of 5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde?
The InChIKey is XOVWOQQTFLQRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-10(2)16-13-5-3-12(4-6-13)14-7-11(8-15)9-17-14/h3-10H,1-2H3.
What are the key properties of 5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde?
5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde has a molecular weight of 246.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde is sourced from PubChem (CID 172649491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).