4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol

C26H30O3 — CID 139775367

IUPAC4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol
SMILESCCCCC(c1ccc(O)c(C)c1)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
InChIInChI=1S/C26H30O3/c1-5-6-13-26(20-7-10-23(27)17(2)14-20,21-8-11-24(28)18(3)15-21)22-9-12-25(29)19(4)16-22/h7-12,14-16,27-29H,5-6,13H2,1-4H3
InChIKeyOEASFPLYXRQXOA-UHFFFAOYSA-N
MW390.52 g/mol
LogP6.25
Rot. Bonds6

About 4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol

4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol (PubChem CID 139775367) has the molecular formula C26H30O3 and a molecular weight of 390.52 g/mol. Its IUPAC name is 4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol.

Molecular Properties

Compound Name4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol
PubChem CID139775367
Molecular FormulaC26H30O3
Molecular Weight390.52 g/mol
Exact Mass390.22
IUPAC Name4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol
SMILESCCCCC(c1ccc(O)c(C)c1)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
InChIInChI=1S/C26H30O3/c1-5-6-13-26(20-7-10-23(27)17(2)14-20,21-8-11-24(28)18(3)15-21)22-9-12-25(29)19(4)16-22/h7-12,14-16,27-29H,5-6,13H2,1-4H3
InChIKeyOEASFPLYXRQXOA-UHFFFAOYSA-N
XLogP6.25
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.52
LogP ≤ 56.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol 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

ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol
CID 142882643
4-[1-(4-hydroxy-3-phenylphenyl)-1-(2-methylphenyl)pentyl]-2-phenylphenol
CID 21277063
4-[1,1-bis(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 139775343
4-butyl-2-methylphenol
CID 10964856
4-[1-(4-hydroxy-3-phenylphenyl)-1-(4-methylphenyl)hexyl]-2-phenylphenol
CID 57009241
4-[(2R)-2-aminobutan-2-yl]-2-methylphenol
CID 131037914
4-(1,7-dichloro-4-methylheptan-4-yl)-2-methylphenol
CID 59180676
2-methyl-4-octadecylphenol
CID 3022311
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490
carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
CID 169320278
4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol
CID 71712305
4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol
CID 71712304

Frequently Asked Questions

What is the IUPAC name of 4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol?
The IUPAC name of 4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol (CID 139775367) is 4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol.
What is the SMILES notation for 4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol?
The canonical SMILES for 4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol is CCCCC(c1ccc(O)c(C)c1)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1.
What is the InChIKey of 4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol?
The InChIKey is OEASFPLYXRQXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O3/c1-5-6-13-26(20-7-10-23(27)17(2)14-20,21-8-11-24(28)18(3)15-21)22-9-12-25(29)19(4)16-22/h7-12,14-16,27-29H,5-6,13H2,1-4H3.
What are the key properties of 4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol?
4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol has a molecular weight of 390.52 g/mol, XLogP of 6.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol is sourced from PubChem (CID 139775367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).