2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol

C27H26O — CID 121483228

IUPAC2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol
SMILESC=CCc1cc(CC=C)c(-c2ccccc2O)c(CC=C)c1-c1ccccc1
InChIInChI=1S/C27H26O/c1-4-12-21-19-22(13-5-2)27(23-17-10-11-18-25(23)28)24(14-6-3)26(21)20-15-8-7-9-16-20/h4-11,15-19,28H,1-3,12-14H2
InChIKeyPISPTYJUALYGRV-UHFFFAOYSA-N
MW366.50 g/mol
LogP6.91
Rot. Bonds8

About 2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol

2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol (PubChem CID 121483228) has the molecular formula C27H26O and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol.

Molecular Properties

Compound Name2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol
PubChem CID121483228
Molecular FormulaC27H26O
Molecular Weight366.50 g/mol
Exact Mass366.20
IUPAC Name2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol
SMILESC=CCc1cc(CC=C)c(-c2ccccc2O)c(CC=C)c1-c1ccccc1
InChIInChI=1S/C27H26O/c1-4-12-21-19-22(13-5-2)27(23-17-10-11-18-25(23)28)24(14-6-3)26(21)20-15-8-7-9-16-20/h4-11,15-19,28H,1-3,12-14H2
InChIKeyPISPTYJUALYGRV-UHFFFAOYSA-N
XLogP6.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol?
The IUPAC name of 2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol (CID 121483228) is 2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol.
What is the SMILES notation for 2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol?
The canonical SMILES for 2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol is C=CCc1cc(CC=C)c(-c2ccccc2O)c(CC=C)c1-c1ccccc1.
What is the InChIKey of 2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol?
The InChIKey is PISPTYJUALYGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O/c1-4-12-21-19-22(13-5-2)27(23-17-10-11-18-25(23)28)24(14-6-3)26(21)20-15-8-7-9-16-20/h4-11,15-19,28H,1-3,12-14H2.
What are the key properties of 2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol?
2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol has a molecular weight of 366.50 g/mol, XLogP of 6.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol is sourced from PubChem (CID 121483228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).