3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol

C18H22O2 — CID 57001038

IUPAC3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol
SMILESCc1cc(C(C)Cc2ccc(C)c(O)c2C)ccc1O
InChIInChI=1S/C18H22O2/c1-11-5-6-16(14(4)18(11)20)9-12(2)15-7-8-17(19)13(3)10-15/h5-8,10,12,19-20H,9H2,1-4H3
InChIKeyYEFQIXDTSOWADX-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.37
Rot. Bonds3

About 3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol

3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol (PubChem CID 57001038) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol
PubChem CID57001038
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol
SMILESCc1cc(C(C)Cc2ccc(C)c(O)c2C)ccc1O
InChIInChI=1S/C18H22O2/c1-11-5-6-16(14(4)18(11)20)9-12(2)15-7-8-17(19)13(3)10-15/h5-8,10,12,19-20H,9H2,1-4H3
InChIKeyYEFQIXDTSOWADX-UHFFFAOYSA-N
XLogP4.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol?
The IUPAC name of 3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol (CID 57001038) is 3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol.
What is the SMILES notation for 3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol?
The canonical SMILES for 3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol is Cc1cc(C(C)Cc2ccc(C)c(O)c2C)ccc1O.
What is the InChIKey of 3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol?
The InChIKey is YEFQIXDTSOWADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-11-5-6-16(14(4)18(11)20)9-12(2)15-7-8-17(19)13(3)10-15/h5-8,10,12,19-20H,9H2,1-4H3.
What are the key properties of 3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol?
3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol has a molecular weight of 270.37 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxy-3-methylphenyl)propyl]-2,6-dimethylphenol is sourced from PubChem (CID 57001038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).