6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol

C33H32O2 — CID 139903516

IUPAC6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol
SMILESCC=Cc1c(C)ccc(C(c2ccccc2)(c2ccccc2)c2ccc(C)c(C=CC)c2O)c1O
InChIInChI=1S/C33H32O2/c1-5-13-27-23(3)19-21-29(31(27)34)33(25-15-9-7-10-16-25,26-17-11-8-12-18-26)30-22-20-24(4)28(14-6-2)32(30)35/h5-22,34-35H,1-4H3
InChIKeyFZMWDRXOGZLWAT-UHFFFAOYSA-N
MW460.62 g/mol
LogP8.16
Rot. Bonds6

About 6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol

6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol (PubChem CID 139903516) has the molecular formula C33H32O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol.

Molecular Properties

Compound Name6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol
PubChem CID139903516
Molecular FormulaC33H32O2
Molecular Weight460.62 g/mol
Exact Mass460.24
IUPAC Name6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol
SMILESCC=Cc1c(C)ccc(C(c2ccccc2)(c2ccccc2)c2ccc(C)c(C=CC)c2O)c1O
InChIInChI=1S/C33H32O2/c1-5-13-27-23(3)19-21-29(31(27)34)33(25-15-9-7-10-16-25,26-17-11-8-12-18-26)30-22-20-24(4)28(14-6-2)32(30)35/h5-22,34-35H,1-4H3
InChIKeyFZMWDRXOGZLWAT-UHFFFAOYSA-N
XLogP8.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 58.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol?
The IUPAC name of 6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol (CID 139903516) is 6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol.
What is the SMILES notation for 6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol?
The canonical SMILES for 6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol is CC=Cc1c(C)ccc(C(c2ccccc2)(c2ccccc2)c2ccc(C)c(C=CC)c2O)c1O.
What is the InChIKey of 6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol?
The InChIKey is FZMWDRXOGZLWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32O2/c1-5-13-27-23(3)19-21-29(31(27)34)33(25-15-9-7-10-16-25,26-17-11-8-12-18-26)30-22-20-24(4)28(14-6-2)32(30)35/h5-22,34-35H,1-4H3.
What are the key properties of 6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol?
6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol has a molecular weight of 460.62 g/mol, XLogP of 8.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-4-methyl-3-prop-1-enylphenyl)-diphenylmethyl]-3-methyl-2-prop-1-enylphenol is sourced from PubChem (CID 139903516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).