5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde

C15H16O2S — CID 82484736

IUPAC5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde
SMILESCC(C)(C)Oc1ccc(-c2ccc(C=O)s2)cc1
InChIInChI=1S/C15H16O2S/c1-15(2,3)17-12-6-4-11(5-7-12)14-9-8-13(10-16)18-14/h4-10H,1-3H3
InChIKeyFMVBINSBONLVSK-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.40
Rot. Bonds3

About 5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde

5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde (PubChem CID 82484736) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde
PubChem CID82484736
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde
SMILESCC(C)(C)Oc1ccc(-c2ccc(C=O)s2)cc1
InChIInChI=1S/C15H16O2S/c1-15(2,3)17-12-6-4-11(5-7-12)14-9-8-13(10-16)18-14/h4-10H,1-3H3
InChIKeyFMVBINSBONLVSK-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde (CID 82484736) is 5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde is CC(C)(C)Oc1ccc(-c2ccc(C=O)s2)cc1.
What is the InChIKey of 5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde?
The InChIKey is FMVBINSBONLVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-15(2,3)17-12-6-4-11(5-7-12)14-9-8-13(10-16)18-14/h4-10H,1-3H3.
What are the key properties of 5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde?
5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde has a molecular weight of 260.36 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 82484736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).