2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol

C37H44O4 — CID 10460281

IUPAC2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol
SMILESCc1cc(C(CCCC(c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C37H44O4/c1-20-12-28(13-21(2)34(20)38)32(29-14-22(3)35(39)23(4)15-29)10-9-11-33(30-16-24(5)36(40)25(6)17-30)31-18-26(7)37(41)27(8)19-31/h12-19,32-33,38-41H,9-11H2,1-8H3
InChIKeyWIMVSGXYSQUBLG-UHFFFAOYSA-N
MW552.76 g/mol
LogP9.11
Rot. Bonds8

About 2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol

2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol (PubChem CID 10460281) has the molecular formula C37H44O4 and a molecular weight of 552.76 g/mol. Its IUPAC name is 2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol
PubChem CID10460281
Molecular FormulaC37H44O4
Molecular Weight552.76 g/mol
Exact Mass552.32
IUPAC Name2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol
SMILESCc1cc(C(CCCC(c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C37H44O4/c1-20-12-28(13-21(2)34(20)38)32(29-14-22(3)35(39)23(4)15-29)10-9-11-33(30-16-24(5)36(40)25(6)17-30)31-18-26(7)37(41)27(8)19-31/h12-19,32-33,38-41H,9-11H2,1-8H3
InChIKeyWIMVSGXYSQUBLG-UHFFFAOYSA-N
XLogP9.11
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.76
LogP ≤ 59.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]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-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol
CID 135345606
5,5-bis(4-hydroxy-3,5-dimethylphenyl)pentanoic acid
CID 57316955
4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol
CID 15570439
4-[2-chloro-1-(4-hydroxy-3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol
CID 11044941
5-[6,6-bis(3,4,5-trimethylphenyl)hexan-2-yl]-1,2,3-trimethylbenzene
CID 59524659
4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol
CID 22321255
5-[3-carboxy-1-(3-carboxy-4-hydroxy-5-methylphenyl)propyl]-2-hydroxy-3-methylbenzoic acid
CID 23386775
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 22019961
4-(1-aminobutyl)-2,6-dimethylphenol
CID 55296178
4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol
CID 96682617
4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol
CID 66516147
2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol
CID 101311632

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol (CID 10460281) is 2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol is Cc1cc(C(CCCC(c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)c2cc(C)c(O)c(C)c2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol?
The InChIKey is WIMVSGXYSQUBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44O4/c1-20-12-28(13-21(2)34(20)38)32(29-14-22(3)35(39)23(4)15-29)10-9-11-33(30-16-24(5)36(40)25(6)17-30)31-18-26(7)37(41)27(8)19-31/h12-19,32-33,38-41H,9-11H2,1-8H3.
What are the key properties of 2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol?
2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol has a molecular weight of 552.76 g/mol, XLogP of 9.11, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol is sourced from PubChem (CID 10460281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).