4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol

C12H18O2 — CID 145140633

IUPAC4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol
SMILESCc1cc(C(O)C(C)C)cc(C)c1O
InChIInChI=1S/C12H18O2/c1-7(2)11(13)10-5-8(3)12(14)9(4)6-10/h5-7,11,13-14H,1-4H3
InChIKeyFJVWOKDFSRGBKT-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.70
Rot. Bonds2

About 4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol

4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol (PubChem CID 145140633) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol
PubChem CID145140633
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol
SMILESCc1cc(C(O)C(C)C)cc(C)c1O
InChIInChI=1S/C12H18O2/c1-7(2)11(13)10-5-8(3)12(14)9(4)6-10/h5-7,11,13-14H,1-4H3
InChIKeyFJVWOKDFSRGBKT-UHFFFAOYSA-N
XLogP2.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2,6-dimethylphenol
CID 131404150
4-chloro-1-(4-hydroxy-3,5-dimethylphenyl)butane-1,2-diol
CID 171893737
4-(2-amino-1-hydroxy-2-phenylethyl)-2,6-dimethylphenol
CID 55111408
4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol
CID 142842410
4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-dimethylphenol;hydrochloride
CID 171241360
4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol
CID 66516147
4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol
CID 110177993
4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol
CID 66037162
4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine
CID 23282271
4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-2,6-dimethylphenol
CID 171268127
4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol
CID 96682617
2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol
CID 10460281

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol?
The IUPAC name of 4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol (CID 145140633) is 4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol?
The canonical SMILES for 4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol is Cc1cc(C(O)C(C)C)cc(C)c1O.
What is the InChIKey of 4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol?
The InChIKey is FJVWOKDFSRGBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-7(2)11(13)10-5-8(3)12(14)9(4)6-10/h5-7,11,13-14H,1-4H3.
What are the key properties of 4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol?
4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol has a molecular weight of 194.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol is sourced from PubChem (CID 145140633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).