2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol

C27H25NO4 — CID 101332142

IUPAC2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol
SMILESCc1ccc(O)cc1Oc1ccccc1N(c1c(C)cccc1O)c1c(C)cccc1O
InChIInChI=1S/C27H25NO4/c1-17-14-15-20(29)16-25(17)32-24-13-5-4-10-21(24)28(26-18(2)8-6-11-22(26)30)27-19(3)9-7-12-23(27)31/h4-16,29-31H,1-3H3
InChIKeyLCUUBHQSLQBABA-UHFFFAOYSA-N
MW427.50 g/mol
LogP6.99
Rot. Bonds5

About 2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol

2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol (PubChem CID 101332142) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol.

Molecular Properties

Compound Name2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol
PubChem CID101332142
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol
SMILESCc1ccc(O)cc1Oc1ccccc1N(c1c(C)cccc1O)c1c(C)cccc1O
InChIInChI=1S/C27H25NO4/c1-17-14-15-20(29)16-25(17)32-24-13-5-4-10-21(24)28(26-18(2)8-6-11-22(26)30)27-19(3)9-7-12-23(27)31/h4-16,29-31H,1-3H3
InChIKeyLCUUBHQSLQBABA-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-[3-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)anilino]-5-methylphenol
CID 101332083
3-(3-hydroxy-N-[2-(3-hydroxy-5-methylphenoxy)phenyl]-2-methylanilino)-2-methylphenol
CID 101332169
2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol
CID 101332094
CID 140811752
CID 140811752
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
3,5-dimethyl-4-(2-methylphenoxy)phenol
CID 18994525
2-[2-(3-hydroxy-5-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol
CID 101332109
1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
CID 19792455
2-(2-methylphenoxy)-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 123318693
1,2,3-tris(2-methylphenoxy)benzene
CID 139940567
2-(2-hydroxyphenoxy)-4,5-dimethylphenol
CID 91665428
2-methoxyphenol;2-methylbenzene-1,4-diol
CID 161187108

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol?
The IUPAC name of 2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol (CID 101332142) is 2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol.
What is the SMILES notation for 2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol?
The canonical SMILES for 2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol is Cc1ccc(O)cc1Oc1ccccc1N(c1c(C)cccc1O)c1c(C)cccc1O.
What is the InChIKey of 2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol?
The InChIKey is LCUUBHQSLQBABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-17-14-15-20(29)16-25(17)32-24-13-5-4-10-21(24)28(26-18(2)8-6-11-22(26)30)27-19(3)9-7-12-23(27)31/h4-16,29-31H,1-3H3.
What are the key properties of 2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol?
2-[2-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-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-(5-hydroxy-2-methylphenoxy)-N-(2-hydroxy-6-methylphenyl)anilino]-3-methylphenol is sourced from PubChem (CID 101332142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).