2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol

C42H38O6 — CID 101179885

IUPAC2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(C)cc(-c3cc(C)cc(-c4cc(C)cc(-c5cc(C)cc(-c6cc(C)ccc6O)c5O)c4O)c3O)c2O)c1
InChIInChI=1S/C42H38O6/c1-21-7-9-37(43)27(11-21)29-13-23(3)15-31(39(29)45)33-17-25(5)19-35(41(33)47)36-20-26(6)18-34(42(36)48)32-16-24(4)14-30(40(32)46)28-12-22(2)8-10-38(28)44/h7-20,43-48H,1-6H3
InChIKeyWOJQHMUKVPJMQW-UHFFFAOYSA-N
MW638.76 g/mol
LogP10.11
Rot. Bonds5

About 2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol

2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol (PubChem CID 101179885) has the molecular formula C42H38O6 and a molecular weight of 638.76 g/mol. Its IUPAC name is 2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol.

Molecular Properties

Compound Name2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol
PubChem CID101179885
Molecular FormulaC42H38O6
Molecular Weight638.76 g/mol
Exact Mass638.27
IUPAC Name2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol
SMILESCc1ccc(O)c(-c2cc(C)cc(-c3cc(C)cc(-c4cc(C)cc(-c5cc(C)cc(-c6cc(C)ccc6O)c5O)c4O)c3O)c2O)c1
InChIInChI=1S/C42H38O6/c1-21-7-9-37(43)27(11-21)29-13-23(3)15-31(39(29)45)33-17-25(5)19-35(41(33)47)36-20-26(6)18-34(42(36)48)32-16-24(4)14-30(40(32)46)28-12-22(2)8-10-38(28)44/h7-20,43-48H,1-6H3
InChIKeyWOJQHMUKVPJMQW-UHFFFAOYSA-N
XLogP10.11
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500638.76
LogP ≤ 510.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-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

2-(2-hydroxyphenyl)-4-methylphenol
CID 10035680
hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol
CID 159043640
2-(3,5-dimethylphenyl)-4-methylphenol
CID 83128988
2-(2,5-difluorophenyl)-4-methylphenol
CID 83129807
4-chloro-2-(2,5-dimethylphenyl)phenol
CID 83130826
2-(2,4-dichlorophenyl)-4-methylphenol
CID 83130752
2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol
CID 150395203
2-(3-chloro-2-methylphenyl)-4-methylphenol
CID 159941781
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
2-(4-bromophenyl)-4-methylphenol
CID 15169349
2-(5-butyl-2-hydroxyphenyl)-4-methylphenol
CID 58663399
4-methyl-2-(5-methyl-1-benzofuran-3-yl)phenol
CID 22753091

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol?
The IUPAC name of 2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol (CID 101179885) is 2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol.
What is the SMILES notation for 2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol?
The canonical SMILES for 2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol is Cc1ccc(O)c(-c2cc(C)cc(-c3cc(C)cc(-c4cc(C)cc(-c5cc(C)cc(-c6cc(C)ccc6O)c5O)c4O)c3O)c2O)c1.
What is the InChIKey of 2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol?
The InChIKey is WOJQHMUKVPJMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38O6/c1-21-7-9-37(43)27(11-21)29-13-23(3)15-31(39(29)45)33-17-25(5)19-35(41(33)47)36-20-26(6)18-34(42(36)48)32-16-24(4)14-30(40(32)46)28-12-22(2)8-10-38(28)44/h7-20,43-48H,1-6H3.
What are the key properties of 2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol?
2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol has a molecular weight of 638.76 g/mol, XLogP of 10.11, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol is sourced from PubChem (CID 101179885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).