4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol

C18H21O2+ — CID 123302846

IUPAC4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol
SMILES[CH2+]C(C)c1cc(Cc2c(C)cc(O)cc2C)ccc1O
InChIInChI=1S/C18H20O2/c1-11(2)16-9-14(5-6-18(16)20)10-17-12(3)7-15(19)8-13(17)4/h5-9,11H,1,10H2,2-4H3,(H-,19,20)/p+1
InChIKeyXUHNHLYBXJFJPM-UHFFFAOYSA-O
MW269.36 g/mol
LogP4.24
Rot. Bonds3

About 4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol

4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol (PubChem CID 123302846) has the molecular formula C18H21O2+ and a molecular weight of 269.36 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol
PubChem CID123302846
Molecular FormulaC18H21O2+
Molecular Weight269.36 g/mol
Exact Mass269.15
IUPAC Name4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol
SMILES[CH2+]C(C)c1cc(Cc2c(C)cc(O)cc2C)ccc1O
InChIInChI=1S/C18H20O2/c1-11(2)16-9-14(5-6-18(16)20)10-17-12(3)7-15(19)8-13(17)4/h5-9,11H,1,10H2,2-4H3,(H-,19,20)/p+1
InChIKeyXUHNHLYBXJFJPM-UHFFFAOYSA-O
XLogP4.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol?
The IUPAC name of 4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol (CID 123302846) is 4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol.
What is the SMILES notation for 4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol?
The canonical SMILES for 4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol is [CH2+]C(C)c1cc(Cc2c(C)cc(O)cc2C)ccc1O.
What is the InChIKey of 4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol?
The InChIKey is XUHNHLYBXJFJPM-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20O2/c1-11(2)16-9-14(5-6-18(16)20)10-17-12(3)7-15(19)8-13(17)4/h5-9,11H,1,10H2,2-4H3,(H-,19,20)/p+1.
What are the key properties of 4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol?
4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol has a molecular weight of 269.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenol is sourced from PubChem (CID 123302846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).