2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol

C18H30O3 — CID 71103144

IUPAC2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol
SMILESCOc1cc(C(CC(C)(C)C)C(C)(C)C)cc(OC)c1O
InChIInChI=1S/C18H30O3/c1-17(2,3)11-13(18(4,5)6)12-9-14(20-7)16(19)15(10-12)21-8/h9-10,13,19H,11H2,1-8H3
InChIKeyDBUJPQJIPJCXGR-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.98
Rot. Bonds4

About 2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol

2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol (PubChem CID 71103144) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol
PubChem CID71103144
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol
SMILESCOc1cc(C(CC(C)(C)C)C(C)(C)C)cc(OC)c1O
InChIInChI=1S/C18H30O3/c1-17(2,3)11-13(18(4,5)6)12-9-14(20-7)16(19)15(10-12)21-8/h9-10,13,19H,11H2,1-8H3
InChIKeyDBUJPQJIPJCXGR-UHFFFAOYSA-N
XLogP4.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776
2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol
CID 155387777
4-(1-bromoethyl)-2,6-dimethoxyphenol
CID 134832276
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
(1S,2S,3R,4S)-1,4-bis(4-hydroxy-3,5-dimethoxyphenyl)-2,3-bis(hydroxymethyl)butane-1,4-diol
CID 162905725
4-[(1S)-1,3-diaminopropyl]-2,6-dimethoxyphenol
CID 171219296
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol
CID 171219341
4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride
CID 171244763
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol;hydrochloride
CID 171219342
4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2,6-dimethoxyphenol
CID 171273795
(1R)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one
CID 163006112

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol?
The IUPAC name of 2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol (CID 71103144) is 2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol.
What is the SMILES notation for 2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol?
The canonical SMILES for 2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol is COc1cc(C(CC(C)(C)C)C(C)(C)C)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol?
The InChIKey is DBUJPQJIPJCXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-17(2,3)11-13(18(4,5)6)12-9-14(20-7)16(19)15(10-12)21-8/h9-10,13,19H,11H2,1-8H3.
What are the key properties of 2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol?
2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol has a molecular weight of 294.44 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-(2,2,5,5-tetramethylhexan-3-yl)phenol is sourced from PubChem (CID 71103144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).