4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol

C17H20O3 — CID 83075942

IUPAC4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol
SMILESCOc1ccc(C)cc1CC(C)(O)c1ccc(O)cc1
InChIInChI=1S/C17H20O3/c1-12-4-9-16(20-3)13(10-12)11-17(2,19)14-5-7-15(18)8-6-14/h4-10,18-19H,11H2,1-3H3
InChIKeyVKPRNELNAWVZES-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.16
Rot. Bonds4

About 4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol

4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol (PubChem CID 83075942) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol
PubChem CID83075942
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol
SMILESCOc1ccc(C)cc1CC(C)(O)c1ccc(O)cc1
InChIInChI=1S/C17H20O3/c1-12-4-9-16(20-3)13(10-12)11-17(2,19)14-5-7-15(18)8-6-14/h4-10,18-19H,11H2,1-3H3
InChIKeyVKPRNELNAWVZES-UHFFFAOYSA-N
XLogP3.16
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 62534879
2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 82778672
1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol
CID 80557783
methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
CID 106487848
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)propan-2-ol
CID 104793000
3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine
CID 82141632
1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 114833348
4-tert-butyl-N'-[2-(2-methoxy-5-methylphenyl)acetyl]benzohydrazide
CID 9327517
2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-3-oxobutanenitrile
CID 65394428
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134117

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol?
The IUPAC name of 4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol (CID 83075942) is 4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol.
What is the SMILES notation for 4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol?
The canonical SMILES for 4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol is COc1ccc(C)cc1CC(C)(O)c1ccc(O)cc1.
What is the InChIKey of 4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol?
The InChIKey is VKPRNELNAWVZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-12-4-9-16(20-3)13(10-12)11-17(2,19)14-5-7-15(18)8-6-14/h4-10,18-19H,11H2,1-3H3.
What are the key properties of 4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol?
4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol has a molecular weight of 272.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol is sourced from PubChem (CID 83075942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).