4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde

C24H22O2 — CID 59099684

IUPAC4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde
SMILESC/C(=C/c1cc(C)cc(C)c1)c1ccc(Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C24H22O2/c1-17-12-18(2)14-21(13-17)15-19(3)22-6-10-24(11-7-22)26-23-8-4-20(16-25)5-9-23/h4-16H,1-3H3/b19-15-
InChIKeyJRWYOUPXJWJANT-CYVLTUHYSA-N
MW342.44 g/mol
LogP6.47
Rot. Bonds5

About 4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde

4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde (PubChem CID 59099684) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde.

Molecular Properties

Compound Name4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde
PubChem CID59099684
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde
SMILESC/C(=C/c1cc(C)cc(C)c1)c1ccc(Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C24H22O2/c1-17-12-18(2)14-21(13-17)15-19(3)22-6-10-24(11-7-22)26-23-8-4-20(16-25)5-9-23/h4-16H,1-3H3/b19-15-
InChIKeyJRWYOUPXJWJANT-CYVLTUHYSA-N
XLogP6.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 56.47
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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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde?
The IUPAC name of 4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde (CID 59099684) is 4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde.
What is the SMILES notation for 4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde?
The canonical SMILES for 4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde is C/C(=C/c1cc(C)cc(C)c1)c1ccc(Oc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde?
The InChIKey is JRWYOUPXJWJANT-CYVLTUHYSA-N. The full InChI is InChI=1S/C24H22O2/c1-17-12-18(2)14-21(13-17)15-19(3)22-6-10-24(11-7-22)26-23-8-4-20(16-25)5-9-23/h4-16H,1-3H3/b19-15-.
What are the key properties of 4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde?
4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde has a molecular weight of 342.44 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde is sourced from PubChem (CID 59099684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).