4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol

C26H28O4 — CID 23539056

IUPAC4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol
SMILESCOc1cc(-c2cc(C)c(-c3ccc(O)cc3)cc2OC)ccc1OCC=C(C)C
InChIInChI=1S/C26H28O4/c1-17(2)12-13-30-24-11-8-20(15-26(24)29-5)23-14-18(3)22(16-25(23)28-4)19-6-9-21(27)10-7-19/h6-12,14-16,27H,13H2,1-5H3
InChIKeyBFVIOTFDJCALJY-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.40
Rot. Bonds7

About 4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol

4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol (PubChem CID 23539056) has the molecular formula C26H28O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol.

Molecular Properties

Compound Name4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol
PubChem CID23539056
Molecular FormulaC26H28O4
Molecular Weight404.51 g/mol
Exact Mass404.20
IUPAC Name4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol
SMILESCOc1cc(-c2cc(C)c(-c3ccc(O)cc3)cc2OC)ccc1OCC=C(C)C
InChIInChI=1S/C26H28O4/c1-17(2)12-13-30-24-11-8-20(15-26(24)29-5)23-14-18(3)22(16-25(23)28-4)19-6-9-21(27)10-7-19/h6-12,14-16,27H,13H2,1-5H3
InChIKeyBFVIOTFDJCALJY-UHFFFAOYSA-N
XLogP6.40
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethyl-3-nitrophenyl]phenol
CID 23538960
5-[4-(4-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol
CID 23539150
[5-[4-(4-isocyanophenyl)-2,5-dimethoxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate
CID 23538285
[5-[4-(hydroxymethyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate
CID 20585506
[5-[4-(4-cyanophenyl)-2,5-dimethoxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate
CID 89362140
N-[2-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-3,6-dimethyl-5-(4-methylphenyl)phenyl]acetamide
CID 23539354
2-[2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenoxy]acetic acid
CID 23538313
5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol
CID 23539173
[5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate
CID 58863984
5-[2,5-diethyl-4-(4-hydroxyphenyl)phenyl]-2-(3-methylbut-2-enoxy)phenol;[4-[2,5-diethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]phenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-[4-(3-methylbut-2-enoxy)-3-methylsulfonyloxyphenyl]-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate;[4-[2,5-dimethyl-4-(3-methylsulfonyloxy-4-phenylmethoxyphenyl)phenyl]phenyl] methanesulfonate;[2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethylphenyl] methanesulfonate;4-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]phenol;5-[4-(3-methoxy-4-phenylmethoxyphenyl)-2,5-dimethylphenyl]-2-phenylmethoxyphenol
CID 158374523
[4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-2,5-dimethoxyphenyl]phenyl]urea
CID 23538942
4-(4-chloro-2-methoxy-5-methylphenyl)phenol
CID 82039616

Frequently Asked Questions

What is the IUPAC name of 4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol?
The IUPAC name of 4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol (CID 23539056) is 4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol.
What is the SMILES notation for 4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol?
The canonical SMILES for 4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol is COc1cc(-c2cc(C)c(-c3ccc(O)cc3)cc2OC)ccc1OCC=C(C)C.
What is the InChIKey of 4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol?
The InChIKey is BFVIOTFDJCALJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O4/c1-17(2)12-13-30-24-11-8-20(15-26(24)29-5)23-14-18(3)22(16-25(23)28-4)19-6-9-21(27)10-7-19/h6-12,14-16,27H,13H2,1-5H3.
What are the key properties of 4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol?
4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol has a molecular weight of 404.51 g/mol, XLogP of 6.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol is sourced from PubChem (CID 23539056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).