4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol

C21H21O3P — CID 142679374

IUPAC4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol
SMILESC=CCc1cc(C(=CCP=O)c2ccc(O)c(CC=C)c2)ccc1O
InChIInChI=1S/C21H21O3P/c1-3-5-17-13-15(7-9-20(17)22)19(11-12-25-24)16-8-10-21(23)18(14-16)6-4-2/h3-4,7-11,13-14,22-23H,1-2,5-6,12H2
InChIKeyVBXWAFXMSBIIPH-UHFFFAOYSA-N
MW352.37 g/mol
LogP5.28
Rot. Bonds8

About 4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol

4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol (PubChem CID 142679374) has the molecular formula C21H21O3P and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol
PubChem CID142679374
Molecular FormulaC21H21O3P
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol
SMILESC=CCc1cc(C(=CCP=O)c2ccc(O)c(CC=C)c2)ccc1O
InChIInChI=1S/C21H21O3P/c1-3-5-17-13-15(7-9-20(17)22)19(11-12-25-24)16-8-10-21(23)18(14-16)6-4-2/h3-4,7-11,13-14,22-23H,1-2,5-6,12H2
InChIKeyVBXWAFXMSBIIPH-UHFFFAOYSA-N
XLogP5.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.37
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol 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

4-hydroxy-3-prop-2-enylbenzoic acid;zinc
CID 67875987
2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone
CID 170896149
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
4-prop-2-enoxy-2-prop-2-enylphenol
CID 45091477
4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol
CID 139713899
4-(4-methoxyphenyl)-2-prop-2-enylphenol
CID 54757995
2,4,5-tris(prop-2-enyl)phenol
CID 20562879
4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol
CID 14121742
1-(4-methyl-3-prop-2-enylphenyl)ethanone
CID 143718324
4-[(2S)-azetidin-2-yl]-2-prop-2-enylphenol
CID 130690217
4-hydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enyl]benzoic acid
CID 131839381
4-[(E)-3-hydroxyprop-1-enyl]-2-prop-2-enylphenol
CID 12641154

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol (CID 142679374) is 4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol is C=CCc1cc(C(=CCP=O)c2ccc(O)c(CC=C)c2)ccc1O.
What is the InChIKey of 4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol?
The InChIKey is VBXWAFXMSBIIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O3P/c1-3-5-17-13-15(7-9-20(17)22)19(11-12-25-24)16-8-10-21(23)18(14-16)6-4-2/h3-4,7-11,13-14,22-23H,1-2,5-6,12H2.
What are the key properties of 4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol?
4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol has a molecular weight of 352.37 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol is sourced from PubChem (CID 142679374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).