3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde

C25H24O3 — CID 85417491

IUPAC3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde
SMILESCCC(=C(CC)c1ccc(Oc2cccc(C=O)c2)cc1)c1ccc(O)cc1
InChIInChI=1S/C25H24O3/c1-3-24(19-8-12-21(27)13-9-19)25(4-2)20-10-14-22(15-11-20)28-23-7-5-6-18(16-23)17-26/h5-17,27H,3-4H2,1-2H3
InChIKeyBXLLWMZCVJYQGG-UHFFFAOYSA-N
MW372.46 g/mol
LogP6.73
Rot. Bonds7

About 3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde

3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde (PubChem CID 85417491) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is 3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde.

Molecular Properties

Compound Name3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde
PubChem CID85417491
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Name3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde
SMILESCCC(=C(CC)c1ccc(Oc2cccc(C=O)c2)cc1)c1ccc(O)cc1
InChIInChI=1S/C25H24O3/c1-3-24(19-8-12-21(27)13-9-19)25(4-2)20-10-14-22(15-11-20)28-23-7-5-6-18(16-23)17-26/h5-17,27H,3-4H2,1-2H3
InChIKeyBXLLWMZCVJYQGG-UHFFFAOYSA-N
XLogP6.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-butan-2-ylphenoxy)benzaldehyde
CID 107665630
3-(4-bromophenoxy)benzaldehyde;ethane
CID 143176303
3-(4-bromophenoxy)benzaldehyde
CID 12874363
3-butoxybenzaldehyde;3-hydroxybenzaldehyde
CID 157058924
3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol
CID 138731649
methyl (E)-3-[3-(4-hydroxyphenoxy)phenyl]prop-2-enoate
CID 67836527
3-(3,5-dimethoxyphenoxy)benzaldehyde
CID 63944242
4-(3-formylphenoxy)benzonitrile
CID 13238540
4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol;hydrochloride
CID 172690267
4-phenoxyphenol;propanoic acid
CID 67658817
3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]benzaldehyde
CID 139770376
4-[(E)-2-(3-phenoxyphenyl)ethenyl]phenol
CID 11587340

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde?
The IUPAC name of 3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde (CID 85417491) is 3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde.
What is the SMILES notation for 3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde?
The canonical SMILES for 3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde is CCC(=C(CC)c1ccc(Oc2cccc(C=O)c2)cc1)c1ccc(O)cc1.
What is the InChIKey of 3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde?
The InChIKey is BXLLWMZCVJYQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O3/c1-3-24(19-8-12-21(27)13-9-19)25(4-2)20-10-14-22(15-11-20)28-23-7-5-6-18(16-23)17-26/h5-17,27H,3-4H2,1-2H3.
What are the key properties of 3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde?
3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde has a molecular weight of 372.46 g/mol, XLogP of 6.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde is sourced from PubChem (CID 85417491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).