4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde

C35H28O3 — CID 141459269

IUPAC4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(C(=C(c3ccccc3)c3ccc(OCCO)cc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C35H28O3/c36-23-24-38-33-21-19-32(20-22-33)35(30-9-5-2-6-10-30)34(29-7-3-1-4-8-29)31-17-15-28(16-18-31)27-13-11-26(25-37)12-14-27/h1-22,25,36H,23-24H2
InChIKeyOYYFPVYFNHLFTE-UHFFFAOYSA-N
MW496.61 g/mol
LogP7.54
Rot. Bonds9

About 4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde

4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde (PubChem CID 141459269) has the molecular formula C35H28O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde
PubChem CID141459269
Molecular FormulaC35H28O3
Molecular Weight496.61 g/mol
Exact Mass496.20
IUPAC Name4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(C(=C(c3ccccc3)c3ccc(OCCO)cc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C35H28O3/c36-23-24-38-33-21-19-32(20-22-33)35(30-9-5-2-6-10-30)34(29-7-3-1-4-8-29)31-17-15-28(16-18-31)27-13-11-26(25-37)12-14-27/h1-22,25,36H,23-24H2
InChIKeyOYYFPVYFNHLFTE-UHFFFAOYSA-N
XLogP7.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 57.54
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

4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde
CID 20580224
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
CID 18979506
3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol
CID 177306952
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one
CID 50742117
formic acid;2-phenoxyethanol
CID 71438669
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid
CID 175052952
1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene
CID 132516293
1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 66591459
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde
CID 175290890

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde?
The IUPAC name of 4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde (CID 141459269) is 4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde.
What is the SMILES notation for 4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde?
The canonical SMILES for 4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde is O=Cc1ccc(-c2ccc(C(=C(c3ccccc3)c3ccc(OCCO)cc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde?
The InChIKey is OYYFPVYFNHLFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28O3/c36-23-24-38-33-21-19-32(20-22-33)35(30-9-5-2-6-10-30)34(29-7-3-1-4-8-29)31-17-15-28(16-18-31)27-13-11-26(25-37)12-14-27/h1-22,25,36H,23-24H2.
What are the key properties of 4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde?
4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde has a molecular weight of 496.61 g/mol, XLogP of 7.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde is sourced from PubChem (CID 141459269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).