2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol

C27H25NO4 — CID 101332094

IUPAC2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol
SMILESCc1ccc(Oc2ccccc2N(c2cc(C)ccc2O)c2cc(C)ccc2O)c(O)c1
InChIInChI=1S/C27H25NO4/c1-17-8-11-23(29)21(14-17)28(22-15-18(2)9-12-24(22)30)20-6-4-5-7-26(20)32-27-13-10-19(3)16-25(27)31/h4-16,29-31H,1-3H3
InChIKeyGUAIFIFXVTVVCH-UHFFFAOYSA-N
MW427.50 g/mol
LogP6.99
Rot. Bonds5

About 2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol

2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol (PubChem CID 101332094) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol.

Molecular Properties

Compound Name2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol
PubChem CID101332094
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol
SMILESCc1ccc(Oc2ccccc2N(c2cc(C)ccc2O)c2cc(C)ccc2O)c(O)c1
InChIInChI=1S/C27H25NO4/c1-17-8-11-23(29)21(14-17)28(22-15-18(2)9-12-24(22)30)20-6-4-5-7-26(20)32-27-13-10-19(3)16-25(27)31/h4-16,29-31H,1-3H3
InChIKeyGUAIFIFXVTVVCH-UHFFFAOYSA-N
XLogP6.99
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 56.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-hydroxy-5-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol
CID 101332109
methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate
CID 143255228
3-[4-(2-hydroxy-N-(2-hydroxy-5-methylphenyl)-5-methylanilino)phenoxy]-2-methylphenol
CID 101332105
2-(2,4-dimethylphenoxy)phenol
CID 91665530
3-(3-hydroxy-N-[2-(3-hydroxy-5-methylphenoxy)phenyl]-2-methylanilino)-2-methylphenol
CID 101332169
2-(2-azidophenoxy)-5-methylphenol
CID 86607775
2-(2-hydroxyphenoxy)-4,5-dimethylphenol
CID 91665428
2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol
CID 101332142
2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol
CID 126612269
4-(2,5-dimethylphenoxy)-2,3-dimethylphenol
CID 18994510
3-[2-(2-hydroxy-4-methylphenoxy)phenyl]-4H-1,2,4-oxadiazol-5-one;propane
CID 143255236
2-[3-(3-hydroxy-N-(3-hydroxy-4-methylphenyl)-4-methylanilino)phenoxy]-5-methylphenol
CID 101332185

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol?
The IUPAC name of 2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol (CID 101332094) is 2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol.
What is the SMILES notation for 2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol?
The canonical SMILES for 2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol is Cc1ccc(Oc2ccccc2N(c2cc(C)ccc2O)c2cc(C)ccc2O)c(O)c1.
What is the InChIKey of 2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol?
The InChIKey is GUAIFIFXVTVVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-17-8-11-23(29)21(14-17)28(22-15-18(2)9-12-24(22)30)20-6-4-5-7-26(20)32-27-13-10-19(3)16-25(27)31/h4-16,29-31H,1-3H3.
What are the key properties of 2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol?
2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol has a molecular weight of 427.50 g/mol, XLogP of 6.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol is sourced from PubChem (CID 101332094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).