4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol

C16H18O3 — CID 22041993

IUPAC4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol
SMILESCc1cc(Oc2cc(C)c(O)cc2C)c(C)cc1O
InChIInChI=1S/C16H18O3/c1-9-7-15(11(3)5-13(9)17)19-16-8-10(2)14(18)6-12(16)4/h5-8,17-18H,1-4H3
InChIKeyIDBXWBTZOWNCAX-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.12
Rot. Bonds2

About 4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol

4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol (PubChem CID 22041993) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol
PubChem CID22041993
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol
SMILESCc1cc(Oc2cc(C)c(O)cc2C)c(C)cc1O
InChIInChI=1S/C16H18O3/c1-9-7-15(11(3)5-13(9)17)19-16-8-10(2)14(18)6-12(16)4/h5-8,17-18H,1-4H3
InChIKeyIDBXWBTZOWNCAX-UHFFFAOYSA-N
XLogP4.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxyphenoxy)-2,5-dimethylphenol
CID 18696457
2,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenol
CID 130032537
2-(2-hydroxyphenoxy)-4,5-dimethylphenol
CID 91665428
[4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite
CID 142908247
4-(4-carboxy-2,5-dimethylphenoxy)-2,5-dimethylbenzoic acid
CID 139991122
2-amino-5-methylbenzene-1,4-diol
CID 14549398
4-fluoro-2,5-dimethylphenol
CID 22627623
[4-[2,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenoxy]-2,5-dimethylphenyl] 2-methylprop-2-enoate
CID 59739252
2-ethoxy-4,5-dimethylphenol
CID 82053903
2-(2,4-dimethylphenoxy)phenol
CID 91665530
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
(3Z)-5,6-dimethylhepta-3,5-dien-1-yne;4-(3,4-dimethylphenoxy)-2,5-dimethylphenol;ethane
CID 142616771

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol?
The IUPAC name of 4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol (CID 22041993) is 4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol.
What is the SMILES notation for 4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol?
The canonical SMILES for 4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol is Cc1cc(Oc2cc(C)c(O)cc2C)c(C)cc1O.
What is the InChIKey of 4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol?
The InChIKey is IDBXWBTZOWNCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-9-7-15(11(3)5-13(9)17)19-16-8-10(2)14(18)6-12(16)4/h5-8,17-18H,1-4H3.
What are the key properties of 4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol?
4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol has a molecular weight of 258.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2,5-dimethylphenoxy)-2,5-dimethylphenol is sourced from PubChem (CID 22041993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).