2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol

C13H20O4 — CID 134897013

IUPAC2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol
SMILESCOc1ccc(O)c(OC[C@@H](O)C(C)(C)C)c1
InChIInChI=1S/C13H20O4/c1-13(2,3)12(15)8-17-11-7-9(16-4)5-6-10(11)14/h5-7,12,14-15H,8H2,1-4H3/t12-/m1/s1
InChIKeyNAHVZPICSUITIL-GFCCVEGCSA-N
MW240.30 g/mol
LogP2.19
Rot. Bonds4

About 2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol

2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol (PubChem CID 134897013) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol
PubChem CID134897013
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol
SMILESCOc1ccc(O)c(OC[C@@H](O)C(C)(C)C)c1
InChIInChI=1S/C13H20O4/c1-13(2,3)12(15)8-17-11-7-9(16-4)5-6-10(11)14/h5-7,12,14-15H,8H2,1-4H3/t12-/m1/s1
InChIKeyNAHVZPICSUITIL-GFCCVEGCSA-N
XLogP2.19
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol
CID 114228799
1-(4-tert-butyl-2-methylphenoxy)-3,3-dimethylbutan-2-ol
CID 63467018
5-methoxy-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 63899578
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
4-ethoxy-2-methoxyphenol
CID 54107015
1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62394123
3,3-dimethyl-1-phenoxybutan-2-ol;ethane
CID 162239037
2-[(1S,2R)-1-amino-2-hydroxy-3,3-dimethylbutyl]-4-methoxyphenol
CID 171267542
[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 100798601
1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119235
1-[2-(1-hydroxyethyl)-5-methylphenoxy]-3,3-dimethylbutan-2-ol
CID 114265286

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol?
The IUPAC name of 2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol (CID 134897013) is 2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol.
What is the SMILES notation for 2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol?
The canonical SMILES for 2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol is COc1ccc(O)c(OC[C@@H](O)C(C)(C)C)c1.
What is the InChIKey of 2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol?
The InChIKey is NAHVZPICSUITIL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20O4/c1-13(2,3)12(15)8-17-11-7-9(16-4)5-6-10(11)14/h5-7,12,14-15H,8H2,1-4H3/t12-/m1/s1.
What are the key properties of 2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol?
2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol has a molecular weight of 240.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-4-methoxyphenol is sourced from PubChem (CID 134897013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).