2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde

C19H20O2 — CID 11460181

IUPAC2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde
SMILESCC(C)(C)Oc1ccc(/C=C/c2ccccc2C=O)cc1
InChIInChI=1S/C19H20O2/c1-19(2,3)21-18-12-9-15(10-13-18)8-11-16-6-4-5-7-17(16)14-20/h4-14H,1-3H3/b11-8+
InChIKeyBDKJRZBDDHRRBF-DHZHZOJOSA-N
MW280.37 g/mol
LogP4.85
Rot. Bonds4

About 2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde

2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde (PubChem CID 11460181) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde.

Molecular Properties

Compound Name2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde
PubChem CID11460181
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde
SMILESCC(C)(C)Oc1ccc(/C=C/c2ccccc2C=O)cc1
InChIInChI=1S/C19H20O2/c1-19(2,3)21-18-12-9-15(10-13-18)8-11-16-6-4-5-7-17(16)14-20/h4-14H,1-3H3/b11-8+
InChIKeyBDKJRZBDDHRRBF-DHZHZOJOSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]pyrene
CID 56647690
2-[4-(2-phenylethenyl)phenoxy]benzaldehyde
CID 57248486
2-[3-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde
CID 170944057
4-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]-2-[4-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]-2-pyridinyl]pyridine
CID 102087576
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 577531
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 158836973
3-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde
CID 83655086
2-hydroxy-6-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzo[de]isoquinoline-1,3-dione
CID 126641641
1-(2-phenylethenyl)-4-(trifluoromethoxy)benzene
CID 138115533
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde?
The IUPAC name of 2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde (CID 11460181) is 2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde.
What is the SMILES notation for 2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde?
The canonical SMILES for 2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde is CC(C)(C)Oc1ccc(/C=C/c2ccccc2C=O)cc1.
What is the InChIKey of 2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde?
The InChIKey is BDKJRZBDDHRRBF-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H20O2/c1-19(2,3)21-18-12-9-15(10-13-18)8-11-16-6-4-5-7-17(16)14-20/h4-14H,1-3H3/b11-8+.
What are the key properties of 2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde?
2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde has a molecular weight of 280.37 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 2-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]benzaldehyde is sourced from PubChem (CID 11460181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).