4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol

C26H30O — CID 23045364

IUPAC4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol
SMILESCC(C)Cc1cc(C(C)c2ccccc2)c(O)c(C(C)c2ccccc2)c1
InChIInChI=1S/C26H30O/c1-18(2)15-21-16-24(19(3)22-11-7-5-8-12-22)26(27)25(17-21)20(4)23-13-9-6-10-14-23/h5-14,16-20,27H,15H2,1-4H3
InChIKeyMCMZFVHHWRHNRJ-UHFFFAOYSA-N
MW358.52 g/mol
LogP6.89
Rot. Bonds6

About 4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol

4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol (PubChem CID 23045364) has the molecular formula C26H30O and a molecular weight of 358.52 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol.

Molecular Properties

Compound Name4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol
PubChem CID23045364
Molecular FormulaC26H30O
Molecular Weight358.52 g/mol
Exact Mass358.23
IUPAC Name4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol
SMILESCC(C)Cc1cc(C(C)c2ccccc2)c(O)c(C(C)c2ccccc2)c1
InChIInChI=1S/C26H30O/c1-18(2)15-21-16-24(19(3)22-11-7-5-8-12-22)26(27)25(17-21)20(4)23-13-9-6-10-14-23/h5-14,16-20,27H,15H2,1-4H3
InChIKeyMCMZFVHHWRHNRJ-UHFFFAOYSA-N
XLogP6.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-icosyl-2,6-bis(1-phenylethyl)phenol
CID 70441667
4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol
CID 70559392
4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol
CID 71369615
3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol
CID 90085264
ethane;2-methylpropylbenzene
CID 162200929
2-[1-[2-hydroxy-3-(1-phenylethyl)phenyl]hexyl]-6-(1-phenylethyl)phenol
CID 19870927
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
4-[(1R)-1-phenylethyl]benzene-1,3-diol
CID 139072584
4-(1-phenylethyl)benzene-1,3-diol
CID 11171903
2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol
CID 137108335
5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid
CID 19602303
2-(benzotriazol-2-yl)-4-benzyl-6-(1-phenylethyl)phenol
CID 67857797

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol?
The IUPAC name of 4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol (CID 23045364) is 4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol.
What is the SMILES notation for 4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol?
The canonical SMILES for 4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol is CC(C)Cc1cc(C(C)c2ccccc2)c(O)c(C(C)c2ccccc2)c1.
What is the InChIKey of 4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol?
The InChIKey is MCMZFVHHWRHNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O/c1-18(2)15-21-16-24(19(3)22-11-7-5-8-12-22)26(27)25(17-21)20(4)23-13-9-6-10-14-23/h5-14,16-20,27H,15H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol?
4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol has a molecular weight of 358.52 g/mol, XLogP of 6.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol is sourced from PubChem (CID 23045364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).