4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol

C21H24O3 — CID 87756596

IUPAC4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol
SMILESCCOC(CC)Oc1ccc(C=CC=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C21H24O3/c1-3-21(23-4-2)24-20-15-11-18(12-16-20)8-6-5-7-17-9-13-19(22)14-10-17/h5-16,21-22H,3-4H2,1-2H3
InChIKeyNYCTYBFAWYIQHV-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.27
Rot. Bonds8

About 4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol

4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol (PubChem CID 87756596) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol.

Molecular Properties

Compound Name4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol
PubChem CID87756596
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol
SMILESCCOC(CC)Oc1ccc(C=CC=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C21H24O3/c1-3-21(23-4-2)24-20-15-11-18(12-16-20)8-6-5-7-17-9-13-19(22)14-10-17/h5-16,21-22H,3-4H2,1-2H3
InChIKeyNYCTYBFAWYIQHV-UHFFFAOYSA-N
XLogP5.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-[4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenoxy]-2-methylpropyl]phenyl]ethenol
CID 87757114
1-butan-2-yl-4-(1-ethoxypropoxy)benzene;1-butan-2-yl-4-methylbenzene;4-butan-2-ylphenol
CID 91131838
tert-butyl 2-methylprop-2-enoate;4-[4-[4-(1-ethoxyethoxy)phenyl]buta-1,3-dienyl]phenol
CID 87583156
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
5-[(E)-2-[4-[1-(3,5-dihydroxyphenyl)-2-ethoxy-2-(4-hydroxyphenyl)ethoxy]phenyl]ethenyl]benzene-1,3-diol
CID 53465818
1-(2,5-dimethylhexa-2,4-dien-3-yl)-4-(1-ethoxypropoxy)benzene
CID 88872565
4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
1-(2,6-dimethylheptan-4-yl)-4-(1-ethoxypropoxy)benzene
CID 123693664
3-[2-[4-(2-cyclohexyl-1-ethoxyethoxy)phenyl]ethenyl]-2-(2,2-dimethylpropyl)-5-(4-hydroxyphenyl)penta-2,4-dienoic acid
CID 57187917
4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol
CID 87425519
4-[(1E,3E)-4-(4-ethylsulfanylphenyl)buta-1,3-dienyl]phenol
CID 89165710
4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol
CID 23546598

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol?
The IUPAC name of 4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol (CID 87756596) is 4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol.
What is the SMILES notation for 4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol?
The canonical SMILES for 4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol is CCOC(CC)Oc1ccc(C=CC=Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol?
The InChIKey is NYCTYBFAWYIQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-3-21(23-4-2)24-20-15-11-18(12-16-20)8-6-5-7-17-9-13-19(22)14-10-17/h5-16,21-22H,3-4H2,1-2H3.
What are the key properties of 4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol?
4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol has a molecular weight of 324.42 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1-ethoxypropoxy)phenyl]buta-1,3-dienyl]phenol is sourced from PubChem (CID 87756596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).