4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol

C31H32O2 — CID 19003377

IUPAC4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol
SMILESCc1cc(CCCCCc2cc(C)c(O)c(-c3ccccc3)c2)cc(-c2ccccc2)c1O
InChIInChI=1S/C31H32O2/c1-22-18-24(20-28(30(22)32)26-14-8-4-9-15-26)12-6-3-7-13-25-19-23(2)31(33)29(21-25)27-16-10-5-11-17-27/h4-5,8-11,14-21,32-33H,3,6-7,12-13H2,1-2H3
InChIKeyXNPOXMAHSUSJKA-UHFFFAOYSA-N
MW436.60 g/mol
LogP8.00
Rot. Bonds8

About 4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol

4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol (PubChem CID 19003377) has the molecular formula C31H32O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol.

Molecular Properties

Compound Name4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol
PubChem CID19003377
Molecular FormulaC31H32O2
Molecular Weight436.60 g/mol
Exact Mass436.24
IUPAC Name4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol
SMILESCc1cc(CCCCCc2cc(C)c(O)c(-c3ccccc3)c2)cc(-c2ccccc2)c1O
InChIInChI=1S/C31H32O2/c1-22-18-24(20-28(30(22)32)26-14-8-4-9-15-26)12-6-3-7-13-25-19-23(2)31(33)29(21-25)27-16-10-5-11-17-27/h4-5,8-11,14-21,32-33H,3,6-7,12-13H2,1-2H3
InChIKeyXNPOXMAHSUSJKA-UHFFFAOYSA-N
XLogP8.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol 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

2-methyl-4-nonyl-6-phenylphenol
CID 174342860
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
CID 139679162
4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol
CID 70422254
2,6-dimethyl-4-octadecylphenol
CID 66619575
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
4-pentyl-2-phenylphenol
CID 154147556
5-[12-(3-formyl-4-hydroxy-5-propan-2-ylphenyl)dodecyl]-2-hydroxy-3-phenylbenzaldehyde
CID 11548236
3-(4-methyl-3-phenylphenyl)propan-1-ol
CID 117325760
2,5-dibutyl-3-phenylphenol
CID 122215941
2-octylazulene
CID 101406191
4-(3-hydroxypropyl)-2,6-bis(4-methylphenyl)phenol
CID 22734704

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol?
The IUPAC name of 4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol (CID 19003377) is 4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol.
What is the SMILES notation for 4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol?
The canonical SMILES for 4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol is Cc1cc(CCCCCc2cc(C)c(O)c(-c3ccccc3)c2)cc(-c2ccccc2)c1O.
What is the InChIKey of 4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol?
The InChIKey is XNPOXMAHSUSJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O2/c1-22-18-24(20-28(30(22)32)26-14-8-4-9-15-26)12-6-3-7-13-25-19-23(2)31(33)29(21-25)27-16-10-5-11-17-27/h4-5,8-11,14-21,32-33H,3,6-7,12-13H2,1-2H3.
What are the key properties of 4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol?
4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol has a molecular weight of 436.60 g/mol, XLogP of 8.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol is sourced from PubChem (CID 19003377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).