4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol

C28H28O4 — CID 71293385

IUPAC4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol
SMILESCc1cc(-c2ccc(O)c(C)c2)ccc1O.Cc1cc(O)ccc1-c1ccc(O)cc1C
InChIInChI=1S/2C14H14O2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2;1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h2*3-8,15-16H,1-2H3
InChIKeyCWAXBIPTWRHEKR-UHFFFAOYSA-N
MW428.53 g/mol
LogP6.76
Rot. Bonds2

About 4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol

4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol (PubChem CID 71293385) has the molecular formula C28H28O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol
PubChem CID71293385
Molecular FormulaC28H28O4
Molecular Weight428.53 g/mol
Exact Mass428.20
IUPAC Name4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol
SMILESCc1cc(-c2ccc(O)c(C)c2)ccc1O.Cc1cc(O)ccc1-c1ccc(O)cc1C
InChIInChI=1S/2C14H14O2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2;1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h2*3-8,15-16H,1-2H3
InChIKeyCWAXBIPTWRHEKR-UHFFFAOYSA-N
XLogP6.76
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 56.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol?
The IUPAC name of 4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol (CID 71293385) is 4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol.
What is the SMILES notation for 4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol?
The canonical SMILES for 4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol is Cc1cc(-c2ccc(O)c(C)c2)ccc1O.Cc1cc(O)ccc1-c1ccc(O)cc1C.
What is the InChIKey of 4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol?
The InChIKey is CWAXBIPTWRHEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14O2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2;1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h2*3-8,15-16H,1-2H3.
What are the key properties of 4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol?
4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol has a molecular weight of 428.53 g/mol, XLogP of 6.76, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol is sourced from PubChem (CID 71293385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).