2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol

C27H32O — CID 66867217

IUPAC2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol
SMILESCC(C)(c1ccccc1)C(CCc1ccccc1O)C(C)(C)c1ccccc1
InChIInChI=1S/C27H32O/c1-26(2,22-14-7-5-8-15-22)25(20-19-21-13-11-12-18-24(21)28)27(3,4)23-16-9-6-10-17-23/h5-18,25,28H,19-20H2,1-4H3
InChIKeyGRXZGXDCZRGFAR-UHFFFAOYSA-N
MW372.55 g/mol
LogP6.90
Rot. Bonds7

About 2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol

2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol (PubChem CID 66867217) has the molecular formula C27H32O and a molecular weight of 372.55 g/mol. Its IUPAC name is 2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol.

Molecular Properties

Compound Name2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol
PubChem CID66867217
Molecular FormulaC27H32O
Molecular Weight372.55 g/mol
Exact Mass372.25
IUPAC Name2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol
SMILESCC(C)(c1ccccc1)C(CCc1ccccc1O)C(C)(C)c1ccccc1
InChIInChI=1S/C27H32O/c1-26(2,22-14-7-5-8-15-22)25(20-19-21-13-11-12-18-24(21)28)27(3,4)23-16-9-6-10-17-23/h5-18,25,28H,19-20H2,1-4H3
InChIKeyGRXZGXDCZRGFAR-UHFFFAOYSA-N
XLogP6.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol?
The IUPAC name of 2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol (CID 66867217) is 2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol.
What is the SMILES notation for 2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol?
The canonical SMILES for 2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol is CC(C)(c1ccccc1)C(CCc1ccccc1O)C(C)(C)c1ccccc1.
What is the InChIKey of 2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol?
The InChIKey is GRXZGXDCZRGFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O/c1-26(2,22-14-7-5-8-15-22)25(20-19-21-13-11-12-18-24(21)28)27(3,4)23-16-9-6-10-17-23/h5-18,25,28H,19-20H2,1-4H3.
What are the key properties of 2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol?
2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol has a molecular weight of 372.55 g/mol, XLogP of 6.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol is sourced from PubChem (CID 66867217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).