4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol

C35H40O3 — CID 58676222

IUPAC4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol
SMILESCc1cc(CCC(CCc2cc(C)c(O)c(C)c2)(c2ccccc2)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C35H40O3/c1-22-16-28(17-23(2)32(22)36)12-14-35(30-10-8-7-9-11-30,31-20-26(5)34(38)27(6)21-31)15-13-29-18-24(3)33(37)25(4)19-29/h7-11,16-21,36-38H,12-15H2,1-6H3
InChIKeyRPARJPGOFJMZCQ-UHFFFAOYSA-N
MW508.70 g/mol
LogP8.21
Rot. Bonds8

About 4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol

4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol (PubChem CID 58676222) has the molecular formula C35H40O3 and a molecular weight of 508.70 g/mol. Its IUPAC name is 4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol
PubChem CID58676222
Molecular FormulaC35H40O3
Molecular Weight508.70 g/mol
Exact Mass508.30
IUPAC Name4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol
SMILESCc1cc(CCC(CCc2cc(C)c(O)c(C)c2)(c2ccccc2)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C35H40O3/c1-22-16-28(17-23(2)32(22)36)12-14-35(30-10-8-7-9-11-30,31-20-26(5)34(38)27(6)21-31)15-13-29-18-24(3)33(37)25(4)19-29/h7-11,16-21,36-38H,12-15H2,1-6H3
InChIKeyRPARJPGOFJMZCQ-UHFFFAOYSA-N
XLogP8.21
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.70
LogP ≤ 58.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3,3-bis(4-hydroxy-3,5-dimethylphenyl)-5-(4-hydroxy-3-methylphenyl)pentyl]-2,6-dimethylphenol
CID 134238252
4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol
CID 54154078
4-[2-[3,5-bis[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenol;2,6-dimethyl-4-[3,3,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol;4-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-phenylphenyl]methyl]-2,6-dimethylphenol
CID 158556044
benzyl 5-[3,5-bis(4-hydroxy-3,5-diiodophenyl)-3-(4-hydroxy-3-iodo-5-methylphenyl)pentyl]-2-hydroxy-3-iodobenzoate
CID 134270988
ethane;4-[1-(4-hydroxy-3-methylphenyl)-3,5-bis(4-hydroxyphenyl)pentan-3-yl]-2-methyl-6-sulfanylphenol
CID 145217054
2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol
CID 59638972
4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2,6-dimethylphenol
CID 70988485
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol
CID 20520008
4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol
CID 19003377
2,6-dimethyl-4-pentylphenol
CID 22625507

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol?
The IUPAC name of 4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol (CID 58676222) is 4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol is Cc1cc(CCC(CCc2cc(C)c(O)c(C)c2)(c2ccccc2)c2cc(C)c(O)c(C)c2)cc(C)c1O.
What is the InChIKey of 4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol?
The InChIKey is RPARJPGOFJMZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40O3/c1-22-16-28(17-23(2)32(22)36)12-14-35(30-10-8-7-9-11-30,31-20-26(5)34(38)27(6)21-31)15-13-29-18-24(3)33(37)25(4)19-29/h7-11,16-21,36-38H,12-15H2,1-6H3.
What are the key properties of 4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol?
4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol has a molecular weight of 508.70 g/mol, XLogP of 8.21, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol is sourced from PubChem (CID 58676222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).