4-(2,5-dimethylphenoxy)-2,3-dimethylphenol

C16H18O2 — CID 18994510

IUPAC4-(2,5-dimethylphenoxy)-2,3-dimethylphenol
SMILESCc1ccc(C)c(Oc2ccc(O)c(C)c2C)c1
InChIInChI=1S/C16H18O2/c1-10-5-6-11(2)16(9-10)18-15-8-7-14(17)12(3)13(15)4/h5-9,17H,1-4H3
InChIKeyIBERRDVYXZKICD-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.42
Rot. Bonds2

About 4-(2,5-dimethylphenoxy)-2,3-dimethylphenol

4-(2,5-dimethylphenoxy)-2,3-dimethylphenol (PubChem CID 18994510) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(2,5-dimethylphenoxy)-2,3-dimethylphenol.

Molecular Properties

Compound Name4-(2,5-dimethylphenoxy)-2,3-dimethylphenol
PubChem CID18994510
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name4-(2,5-dimethylphenoxy)-2,3-dimethylphenol
SMILESCc1ccc(C)c(Oc2ccc(O)c(C)c2C)c1
InChIInChI=1S/C16H18O2/c1-10-5-6-11(2)16(9-10)18-15-8-7-14(17)12(3)13(15)4/h5-9,17H,1-4H3
InChIKeyIBERRDVYXZKICD-UHFFFAOYSA-N
XLogP4.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene
CID 71382789
1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
CID 19792455
1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene
CID 160687040
2-(2,4-dimethylphenoxy)phenol
CID 91665530
4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol
CID 135158107
(1R)-1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]ethanol
CID 78941592
3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
CID 105405428
[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62308844
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
CID 63511560
5-amino-2-(2,5-dimethylphenoxy)benzamide
CID 61306658
2-(2,5-dimethylphenoxy)-5-fluorobenzenecarbothioamide
CID 63674918
1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol
CID 82970526

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenoxy)-2,3-dimethylphenol?
The IUPAC name of 4-(2,5-dimethylphenoxy)-2,3-dimethylphenol (CID 18994510) is 4-(2,5-dimethylphenoxy)-2,3-dimethylphenol.
What is the SMILES notation for 4-(2,5-dimethylphenoxy)-2,3-dimethylphenol?
The canonical SMILES for 4-(2,5-dimethylphenoxy)-2,3-dimethylphenol is Cc1ccc(C)c(Oc2ccc(O)c(C)c2C)c1.
What is the InChIKey of 4-(2,5-dimethylphenoxy)-2,3-dimethylphenol?
The InChIKey is IBERRDVYXZKICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-10-5-6-11(2)16(9-10)18-15-8-7-14(17)12(3)13(15)4/h5-9,17H,1-4H3.
What are the key properties of 4-(2,5-dimethylphenoxy)-2,3-dimethylphenol?
4-(2,5-dimethylphenoxy)-2,3-dimethylphenol has a molecular weight of 242.32 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenoxy)-2,3-dimethylphenol is sourced from PubChem (CID 18994510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).