5-methoxy-3-methyl-2-propan-2-ylphenol

C11H16O2 — CID 90394378

IUPAC5-methoxy-3-methyl-2-propan-2-ylphenol
SMILESCOc1cc(C)c(C(C)C)c(O)c1
InChIInChI=1S/C11H16O2/c1-7(2)11-8(3)5-9(13-4)6-10(11)12/h5-7,12H,1-4H3
InChIKeyCPWPHTMYWPHNBT-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.83
Rot. Bonds2

About 5-methoxy-3-methyl-2-propan-2-ylphenol

5-methoxy-3-methyl-2-propan-2-ylphenol (PubChem CID 90394378) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-methoxy-3-methyl-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-methoxy-3-methyl-2-propan-2-ylphenol
PubChem CID90394378
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5-methoxy-3-methyl-2-propan-2-ylphenol
SMILESCOc1cc(C)c(C(C)C)c(O)c1
InChIInChI=1S/C11H16O2/c1-7(2)11-8(3)5-9(13-4)6-10(11)12/h5-7,12H,1-4H3
InChIKeyCPWPHTMYWPHNBT-UHFFFAOYSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-3-methyl-2-propan-2-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-hydroxyethyl)-5-methoxy-3-methylphenol
CID 178064841
2-chloro-5-methoxy-3-methylphenol
CID 144544904
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 82315867
2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol
CID 130036156
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 82315829
3-(4-methoxy-2,6-dimethylphenyl)butanethioamide
CID 83940097
4-methoxy-2,6-di(propan-2-yl)phenol
CID 19994197
2-(2-hydroxy-5-methoxy-3-methylphenyl)-4-methoxy-6-methylphenol
CID 59106217
5-methoxy-1,3-dimethyl-2-(3-methylhex-4-yn-2-yl)benzene
CID 83940127
2-(4-bromobutan-2-yl)-5-methoxy-1,3-dimethylbenzene
CID 83940053
1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine
CID 82048906

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-2-propan-2-ylphenol?
The IUPAC name of 5-methoxy-3-methyl-2-propan-2-ylphenol (CID 90394378) is 5-methoxy-3-methyl-2-propan-2-ylphenol.
What is the SMILES notation for 5-methoxy-3-methyl-2-propan-2-ylphenol?
The canonical SMILES for 5-methoxy-3-methyl-2-propan-2-ylphenol is COc1cc(C)c(C(C)C)c(O)c1.
What is the InChIKey of 5-methoxy-3-methyl-2-propan-2-ylphenol?
The InChIKey is CPWPHTMYWPHNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7(2)11-8(3)5-9(13-4)6-10(11)12/h5-7,12H,1-4H3.
What are the key properties of 5-methoxy-3-methyl-2-propan-2-ylphenol?
5-methoxy-3-methyl-2-propan-2-ylphenol has a molecular weight of 180.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-2-propan-2-ylphenol is sourced from PubChem (CID 90394378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).