4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol

C24H28O2 — CID 139713899

IUPAC4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol
SMILESC=CCc1cc(C(=C)CC(C)(C)c2ccc(O)c(CC=C)c2)ccc1O
InChIInChI=1S/C24H28O2/c1-6-8-19-14-18(10-12-22(19)25)17(3)16-24(4,5)21-11-13-23(26)20(15-21)9-7-2/h6-7,10-15,25-26H,1-3,8-9,16H2,4-5H3
InChIKeyJHZSLPTYEGMZFL-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.94
Rot. Bonds8

About 4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol

4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol (PubChem CID 139713899) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol.

Molecular Properties

Compound Name4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol
PubChem CID139713899
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol
SMILESC=CCc1cc(C(=C)CC(C)(C)c2ccc(O)c(CC=C)c2)ccc1O
InChIInChI=1S/C24H28O2/c1-6-8-19-14-18(10-12-22(19)25)17(3)16-24(4,5)21-11-13-23(26)20(15-21)9-7-2/h6-7,10-15,25-26H,1-3,8-9,16H2,4-5H3
InChIKeyJHZSLPTYEGMZFL-UHFFFAOYSA-N
XLogP5.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-prop-2-enylbenzoic acid;zinc
CID 67875987
2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol
CID 139341266
4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol
CID 139760589
2-(dimethylamino)-1-(4-hydroxy-3-prop-2-enylphenyl)ethanone
CID 170896149
4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol
CID 15322598
4-[(1R)-1-aminoethyl]-2-prop-2-enylphenol
CID 130657351
4-(1-aminoethyl)-2-prop-2-enylphenol
CID 54848971
4-[1-(4-hydroxy-3-prop-2-enylphenyl)-3-phosphorosoprop-1-enyl]-2-prop-2-enylphenol
CID 142679374
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
4-[2-(4-carboxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylbenzoic acid
CID 139984782
4-(4-methoxyphenyl)-2-prop-2-enylphenol
CID 54757995
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol?
The IUPAC name of 4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol (CID 139713899) is 4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol.
What is the SMILES notation for 4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol?
The canonical SMILES for 4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol is C=CCc1cc(C(=C)CC(C)(C)c2ccc(O)c(CC=C)c2)ccc1O.
What is the InChIKey of 4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol?
The InChIKey is JHZSLPTYEGMZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-6-8-19-14-18(10-12-22(19)25)17(3)16-24(4,5)21-11-13-23(26)20(15-21)9-7-2/h6-7,10-15,25-26H,1-3,8-9,16H2,4-5H3.
What are the key properties of 4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol?
4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol has a molecular weight of 348.49 g/mol, XLogP of 5.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol is sourced from PubChem (CID 139713899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).