4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol

C21H24O2 — CID 11370277

IUPAC4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol
SMILESC=CCc1cc(O)ccc1C(C)(C)c1ccc(O)cc1CC=C
InChIInChI=1S/C21H24O2/c1-5-7-15-13-17(22)9-11-19(15)21(3,4)20-12-10-18(23)14-16(20)8-6-2/h5-6,9-14,22-23H,1-2,7-8H2,3-4H3
InChIKeyPUQRJGODUZWXMF-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.88
Rot. Bonds6

About 4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol

4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol (PubChem CID 11370277) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol
PubChem CID11370277
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol
SMILESC=CCc1cc(O)ccc1C(C)(C)c1ccc(O)cc1CC=C
InChIInChI=1S/C21H24O2/c1-5-7-15-13-17(22)9-11-19(15)21(3,4)20-12-10-18(23)14-16(20)8-6-2/h5-6,9-14,22-23H,1-2,7-8H2,3-4H3
InChIKeyPUQRJGODUZWXMF-UHFFFAOYSA-N
XLogP4.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol?
The IUPAC name of 4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol (CID 11370277) is 4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol.
What is the SMILES notation for 4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol?
The canonical SMILES for 4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol is C=CCc1cc(O)ccc1C(C)(C)c1ccc(O)cc1CC=C.
What is the InChIKey of 4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol?
The InChIKey is PUQRJGODUZWXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-5-7-15-13-17(22)9-11-19(15)21(3,4)20-12-10-18(23)14-16(20)8-6-2/h5-6,9-14,22-23H,1-2,7-8H2,3-4H3.
What are the key properties of 4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol?
4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol has a molecular weight of 308.42 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol is sourced from PubChem (CID 11370277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).