4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol

C36H36O2 — CID 137446435

IUPAC4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol
SMILESC=C(C)Cc1cccc(-c2cc(-c3ccc(O)c(CC(=C)C)c3)cc(-c3ccc(O)c(CC(=C)C)c3)c2)c1
InChIInChI=1S/C36H36O2/c1-23(2)14-26-8-7-9-27(17-26)30-20-31(28-10-12-35(37)33(18-28)15-24(3)4)22-32(21-30)29-11-13-36(38)34(19-29)16-25(5)6/h7-13,17-22,37-38H,1,3,5,14-16H2,2,4,6H3
InChIKeyBQZWPQKTZXJRAQ-UHFFFAOYSA-N
MW500.68 g/mol
LogP9.45
Rot. Bonds9

About 4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol

4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol (PubChem CID 137446435) has the molecular formula C36H36O2 and a molecular weight of 500.68 g/mol. Its IUPAC name is 4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol.

Molecular Properties

Compound Name4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol
PubChem CID137446435
Molecular FormulaC36H36O2
Molecular Weight500.68 g/mol
Exact Mass500.27
IUPAC Name4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol
SMILESC=C(C)Cc1cccc(-c2cc(-c3ccc(O)c(CC(=C)C)c3)cc(-c3ccc(O)c(CC(=C)C)c3)c2)c1
InChIInChI=1S/C36H36O2/c1-23(2)14-26-8-7-9-27(17-26)30-20-31(28-10-12-35(37)33(18-28)15-24(3)4)22-32(21-30)29-11-13-36(38)34(19-29)16-25(5)6/h7-13,17-22,37-38H,1,3,5,14-16H2,2,4,6H3
InChIKeyBQZWPQKTZXJRAQ-UHFFFAOYSA-N
XLogP9.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.68
LogP ≤ 59.45
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

2,4-bis(2-methylprop-2-enyl)phenol
CID 139609254
2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol
CID 70366879
3-(2-methylprop-2-enyl)phenol
CID 91657296
3-[3-(2-methylprop-2-enyl)phenyl]benzamide
CID 143169964
2-(2-methylprop-2-enyl)benzene-1,4-diol
CID 19744956
2-fluoro-4-(2-methylprop-2-enyl)phenol
CID 142516267
4-chloro-2-(2-methylprop-2-enyl)phenol
CID 57370913
2-ethyl-4-(3-hydroxyphenyl)phenol
CID 101302560
4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol
CID 139631748
1-(3-methylbut-3-enyl)-3-phenylbenzene
CID 143843043
bis[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]methanone
CID 139631724
2-[3-(4-acetylphenyl)phenyl]acetate
CID 22930376

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol?
The IUPAC name of 4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol (CID 137446435) is 4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol.
What is the SMILES notation for 4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol?
The canonical SMILES for 4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol is C=C(C)Cc1cccc(-c2cc(-c3ccc(O)c(CC(=C)C)c3)cc(-c3ccc(O)c(CC(=C)C)c3)c2)c1.
What is the InChIKey of 4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol?
The InChIKey is BQZWPQKTZXJRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36O2/c1-23(2)14-26-8-7-9-27(17-26)30-20-31(28-10-12-35(37)33(18-28)15-24(3)4)22-32(21-30)29-11-13-36(38)34(19-29)16-25(5)6/h7-13,17-22,37-38H,1,3,5,14-16H2,2,4,6H3.
What are the key properties of 4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol?
4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol has a molecular weight of 500.68 g/mol, XLogP of 9.45, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]-5-[3-(2-methylprop-2-enyl)phenyl]phenyl]-2-(2-methylprop-2-enyl)phenol is sourced from PubChem (CID 137446435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).