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

C36H42O2 — CID 70618214

IUPAC2-[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
SMILESC=CCc1cc(CC=C)c(O)c(C(C)(C)c2ccc(C(C)(C)c3cc(CC=C)cc(CC=C)c3O)cc2)c1
InChIInChI=1S/C36H42O2/c1-9-13-25-21-27(15-11-3)33(37)31(23-25)35(5,6)29-17-19-30(20-18-29)36(7,8)32-24-26(14-10-2)22-28(16-12-4)34(32)38/h9-12,17-24,37-38H,1-4,13-16H2,5-8H3
InChIKeyWGWAFNQTSKOAHY-UHFFFAOYSA-N
MW506.73 g/mol
LogP8.66
Rot. Bonds12

About 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

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 (PubChem CID 70618214) has the molecular formula C36H42O2 and a molecular weight of 506.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID70618214
Molecular FormulaC36H42O2
Molecular Weight506.73 g/mol
Exact Mass506.32
IUPAC Name2-[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
SMILESC=CCc1cc(CC=C)c(O)c(C(C)(C)c2ccc(C(C)(C)c3cc(CC=C)cc(CC=C)c3O)cc2)c1
InChIInChI=1S/C36H42O2/c1-9-13-25-21-27(15-11-3)33(37)31(23-25)35(5,6)29-17-19-30(20-18-29)36(7,8)32-24-26(14-10-2)22-28(16-12-4)34(32)38/h9-12,17-24,37-38H,1-4,13-16H2,5-8H3
InChIKeyWGWAFNQTSKOAHY-UHFFFAOYSA-N
XLogP8.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.73
LogP ≤ 58.66
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCc1cc(CC=C)c(O)c(C(C)(C)c2ccc(C(C)(C)c3cc(CC=C)cc(CC=C)c3O)cc2)c1.
What is the InChIKey of 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?
The InChIKey is WGWAFNQTSKOAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42O2/c1-9-13-25-21-27(15-11-3)33(37)31(23-25)35(5,6)29-17-19-30(20-18-29)36(7,8)32-24-26(14-10-2)22-28(16-12-4)34(32)38/h9-12,17-24,37-38H,1-4,13-16H2,5-8H3.
What are the key properties of 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?
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 has a molecular weight of 506.73 g/mol, XLogP of 8.66, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70618214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).