4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol

C21H26O3 — CID 10958364

IUPAC4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol
SMILESCOc1cc(O)ccc1CCCc1ccc(O)c(CC=C(C)C)c1
InChIInChI=1S/C21H26O3/c1-15(2)7-9-18-13-16(8-12-20(18)23)5-4-6-17-10-11-19(22)14-21(17)24-3/h7-8,10-14,22-23H,4-6,9H2,1-3H3
InChIKeyTXWULZGRVGVEDI-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.79
Rot. Bonds7

About 4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol

4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol (PubChem CID 10958364) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol.

Molecular Properties

Compound Name4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol
PubChem CID10958364
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol
SMILESCOc1cc(O)ccc1CCCc1ccc(O)c(CC=C(C)C)c1
InChIInChI=1S/C21H26O3/c1-15(2)7-9-18-13-16(8-12-20(18)23)5-4-6-17-10-11-19(22)14-21(17)24-3/h7-8,10-14,22-23H,4-6,9H2,1-3H3
InChIKeyTXWULZGRVGVEDI-UHFFFAOYSA-N
XLogP4.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol?
The IUPAC name of 4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol (CID 10958364) is 4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol.
What is the SMILES notation for 4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol?
The canonical SMILES for 4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol is COc1cc(O)ccc1CCCc1ccc(O)c(CC=C(C)C)c1.
What is the InChIKey of 4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol?
The InChIKey is TXWULZGRVGVEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-15(2)7-9-18-13-16(8-12-20(18)23)5-4-6-17-10-11-19(22)14-21(17)24-3/h7-8,10-14,22-23H,4-6,9H2,1-3H3.
What are the key properties of 4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol?
4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol has a molecular weight of 326.44 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-(3-methylbut-2-enyl)phenol is sourced from PubChem (CID 10958364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).