2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol

C13H20O3 — CID 117322314

IUPAC2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
SMILESCOc1cc(C(C)C)cc(CC(C)O)c1O
InChIInChI=1S/C13H20O3/c1-8(2)10-6-11(5-9(3)14)13(15)12(7-10)16-4/h6-9,14-15H,5H2,1-4H3
InChIKeyMHSMTADXOGWTFT-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.45
Rot. Bonds4

About 2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol

2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol (PubChem CID 117322314) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
PubChem CID117322314
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
SMILESCOc1cc(C(C)C)cc(CC(C)O)c1O
InChIInChI=1S/C13H20O3/c1-8(2)10-6-11(5-9(3)14)13(15)12(7-10)16-4/h6-9,14-15H,5H2,1-4H3
InChIKeyMHSMTADXOGWTFT-UHFFFAOYSA-N
XLogP2.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117384048
2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol
CID 117301823
5-(2-hydroxypropyl)-2,4-dimethoxyphenol
CID 117303005
2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol
CID 169385201
5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
CID 117406460
1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine
CID 117461403
4-(1-bromoethyl)-2,6-dimethoxyphenol
CID 134832276
4-[(1S,2S)-2-hydroxy-1-methoxypropyl]-2,6-dimethoxyphenol
CID 122207108
5-fluoro-2-(2-hydroxypropyl)-4-methoxyphenol
CID 117289277
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
CID 117375107
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
CID 117328887

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol?
The IUPAC name of 2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol (CID 117322314) is 2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol.
What is the SMILES notation for 2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol?
The canonical SMILES for 2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol is COc1cc(C(C)C)cc(CC(C)O)c1O.
What is the InChIKey of 2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol?
The InChIKey is MHSMTADXOGWTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-8(2)10-6-11(5-9(3)14)13(15)12(7-10)16-4/h6-9,14-15H,5H2,1-4H3.
What are the key properties of 2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol?
2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol has a molecular weight of 224.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol is sourced from PubChem (CID 117322314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).