2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol

C30H38O — CID 66866510

IUPAC2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol
SMILESCC(C)(CCCCC(Cc1ccccc1O)C(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H38O/c1-29(2,25-16-7-5-8-17-25)22-14-13-20-27(23-24-15-11-12-21-28(24)31)30(3,4)26-18-9-6-10-19-26/h5-12,15-19,21,27,31H,13-14,20,22-23H2,1-4H3
InChIKeyNQPYVFOHJREBHF-UHFFFAOYSA-N
MW414.63 g/mol
LogP8.07
Rot. Bonds10

About 2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol

2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol (PubChem CID 66866510) has the molecular formula C30H38O and a molecular weight of 414.63 g/mol. Its IUPAC name is 2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol.

Molecular Properties

Compound Name2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol
PubChem CID66866510
Molecular FormulaC30H38O
Molecular Weight414.63 g/mol
Exact Mass414.29
IUPAC Name2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol
SMILESCC(C)(CCCCC(Cc1ccccc1O)C(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H38O/c1-29(2,25-16-7-5-8-17-25)22-14-13-20-27(23-24-15-11-12-21-28(24)31)30(3,4)26-18-9-6-10-19-26/h5-12,15-19,21,27,31H,13-14,20,22-23H2,1-4H3
InChIKeyNQPYVFOHJREBHF-UHFFFAOYSA-N
XLogP8.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol?
The IUPAC name of 2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol (CID 66866510) is 2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol.
What is the SMILES notation for 2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol?
The canonical SMILES for 2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol is CC(C)(CCCCC(Cc1ccccc1O)C(C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol?
The InChIKey is NQPYVFOHJREBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O/c1-29(2,25-16-7-5-8-17-25)22-14-13-20-27(23-24-15-11-12-21-28(24)31)30(3,4)26-18-9-6-10-19-26/h5-12,15-19,21,27,31H,13-14,20,22-23H2,1-4H3.
What are the key properties of 2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol?
2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol has a molecular weight of 414.63 g/mol, XLogP of 8.07, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol is sourced from PubChem (CID 66866510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).