2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol

C21H24O — CID 139341266

IUPAC2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol
SMILESC=CCc1cccc(C(C)(C)c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C21H24O/c1-5-8-16-10-7-11-18(14-16)21(3,4)19-12-13-20(22)17(15-19)9-6-2/h5-7,10-15,22H,1-2,8-9H2,3-4H3
InChIKeyIZXMUVKJTLRFDL-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.18
Rot. Bonds6

About 2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol

2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol (PubChem CID 139341266) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol
PubChem CID139341266
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol
SMILESC=CCc1cccc(C(C)(C)c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C21H24O/c1-5-8-16-10-7-11-18(14-16)21(3,4)19-12-13-20(22)17(15-19)9-6-2/h5-7,10-15,22H,1-2,8-9H2,3-4H3
InChIKeyIZXMUVKJTLRFDL-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-hydroxy-3-prop-2-enylphenyl)-4-methylpent-1-en-2-yl]-2-prop-2-enylphenol
CID 139713899
4-[2-(4-carboxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzoic acid
CID 139984801
4-[2-(4-hydroxy-3-prop-2-enylphenyl)nonan-2-yl]-2-prop-2-enylphenol
CID 139760589
1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 19042683
1-prop-2-enyl-4-[2-(4-prop-2-enylphenyl)propan-2-yl]benzene
CID 123358089
2-(aminomethyl)-4-(2-phenylpropan-2-yl)phenol
CID 12652121
2-[2-[4-[2-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-4,6-bis(prop-2-enyl)phenol
CID 70618214
2-prop-2-enyl-4-[9-(3-prop-2-enylphenyl)fluoren-9-yl]phenol
CID 130394565
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane;4-[(4-hydroxy-3-prop-2-enylphenyl)methyl]-2-prop-2-enylphenol;4-[2-(4-hydroxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenol;2-[4-[[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]oxirane;2-[4-[2-[4-(oxiran-2-yloxy)-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylphenoxy]oxirane
CID 159005156
[4-[2-(4-acetyloxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylphenyl] acetate;ethane
CID 145491393
4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 23033100
4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol
CID 15322598

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol?
The IUPAC name of 2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol (CID 139341266) is 2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol?
The canonical SMILES for 2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol is C=CCc1cccc(C(C)(C)c2ccc(O)c(CC=C)c2)c1.
What is the InChIKey of 2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol?
The InChIKey is IZXMUVKJTLRFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O/c1-5-8-16-10-7-11-18(14-16)21(3,4)19-12-13-20(22)17(15-19)9-6-2/h5-7,10-15,22H,1-2,8-9H2,3-4H3.
What are the key properties of 2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol?
2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol has a molecular weight of 292.42 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-4-[2-(3-prop-2-enylphenyl)propan-2-yl]phenol is sourced from PubChem (CID 139341266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).