2,3,6-trimethyl-4-(3-methylphenoxy)phenol

C16H18O2 — CID 18994518

IUPAC2,3,6-trimethyl-4-(3-methylphenoxy)phenol
SMILESCc1cccc(Oc2cc(C)c(O)c(C)c2C)c1
InChIInChI=1S/C16H18O2/c1-10-6-5-7-14(8-10)18-15-9-11(2)16(17)13(4)12(15)3/h5-9,17H,1-4H3
InChIKeyFDTIHANCLCVUQG-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.42
Rot. Bonds2

About 2,3,6-trimethyl-4-(3-methylphenoxy)phenol

2,3,6-trimethyl-4-(3-methylphenoxy)phenol (PubChem CID 18994518) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,3,6-trimethyl-4-(3-methylphenoxy)phenol.

Molecular Properties

Compound Name2,3,6-trimethyl-4-(3-methylphenoxy)phenol
PubChem CID18994518
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2,3,6-trimethyl-4-(3-methylphenoxy)phenol
SMILESCc1cccc(Oc2cc(C)c(O)c(C)c2C)c1
InChIInChI=1S/C16H18O2/c1-10-6-5-7-14(8-10)18-15-9-11(2)16(17)13(4)12(15)3/h5-9,17H,1-4H3
InChIKeyFDTIHANCLCVUQG-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

2,3-bis(3-methylphenoxy)phenol
CID 139940679
2-(3-methylphenoxy)phenol
CID 22051950
1,2,3-tris(3-methylphenoxy)benzene
CID 139940681
2,4-bis(3-methylphenoxy)phenol
CID 139941781
1,2,4-trimethyl-3-(3-methylphenoxy)benzene
CID 19792389
3-hydroxy-4-(3-methylphenoxy)benzonitrile
CID 143183163
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
2,4-bis(3-methylphenoxy)aniline
CID 34173748
N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide
CID 54934539
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-4-(3-methylphenoxy)phenol?
The IUPAC name of 2,3,6-trimethyl-4-(3-methylphenoxy)phenol (CID 18994518) is 2,3,6-trimethyl-4-(3-methylphenoxy)phenol.
What is the SMILES notation for 2,3,6-trimethyl-4-(3-methylphenoxy)phenol?
The canonical SMILES for 2,3,6-trimethyl-4-(3-methylphenoxy)phenol is Cc1cccc(Oc2cc(C)c(O)c(C)c2C)c1.
What is the InChIKey of 2,3,6-trimethyl-4-(3-methylphenoxy)phenol?
The InChIKey is FDTIHANCLCVUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-10-6-5-7-14(8-10)18-15-9-11(2)16(17)13(4)12(15)3/h5-9,17H,1-4H3.
What are the key properties of 2,3,6-trimethyl-4-(3-methylphenoxy)phenol?
2,3,6-trimethyl-4-(3-methylphenoxy)phenol 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 2,3,6-trimethyl-4-(3-methylphenoxy)phenol is sourced from PubChem (CID 18994518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).