phenol;1,2,4,5-tetramethylbenzene

C22H26O2 — CID 158089853

IUPACphenol;1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)cc1C.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C10H14.2C6H6O/c1-7-5-9(3)10(4)6-8(7)2;2*7-6-4-2-1-3-5-6/h5-6H,1-4H3;2*1-5,7H
InChIKeyFNYVBKBCNIUBKN-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.70
Rot. Bonds

About phenol;1,2,4,5-tetramethylbenzene

phenol;1,2,4,5-tetramethylbenzene (PubChem CID 158089853) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is phenol;1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Namephenol;1,2,4,5-tetramethylbenzene
PubChem CID158089853
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Namephenol;1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)cc1C.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C10H14.2C6H6O/c1-7-5-9(3)10(4)6-8(7)2;2*7-6-4-2-1-3-5-6/h5-6H,1-4H3;2*1-5,7H
InChIKeyFNYVBKBCNIUBKN-UHFFFAOYSA-N
XLogP5.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenol;1,2,4,5-tetramethylbenzene?
The IUPAC name of phenol;1,2,4,5-tetramethylbenzene (CID 158089853) is phenol;1,2,4,5-tetramethylbenzene.
What is the SMILES notation for phenol;1,2,4,5-tetramethylbenzene?
The canonical SMILES for phenol;1,2,4,5-tetramethylbenzene is Cc1cc(C)c(C)cc1C.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of phenol;1,2,4,5-tetramethylbenzene?
The InChIKey is FNYVBKBCNIUBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.2C6H6O/c1-7-5-9(3)10(4)6-8(7)2;2*7-6-4-2-1-3-5-6/h5-6H,1-4H3;2*1-5,7H.
What are the key properties of phenol;1,2,4,5-tetramethylbenzene?
phenol;1,2,4,5-tetramethylbenzene has a molecular weight of 322.45 g/mol, XLogP of 5.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 158089853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).