3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol

C19H32O3 — CID 21199268

IUPAC3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol
SMILESCOc1c(C(C)(C)C)cc(COCCCO)cc1C(C)(C)C
InChIInChI=1S/C19H32O3/c1-18(2,3)15-11-14(13-22-10-8-9-20)12-16(17(15)21-7)19(4,5)6/h11-12,20H,8-10,13H2,1-7H3
InChIKeyHDOJIOBSNQREML-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.19
Rot. Bonds6

About 3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol

3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol (PubChem CID 21199268) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol.

Molecular Properties

Compound Name3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol
PubChem CID21199268
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol
SMILESCOc1c(C(C)(C)C)cc(COCCCO)cc1C(C)(C)C
InChIInChI=1S/C19H32O3/c1-18(2,3)15-11-14(13-22-10-8-9-20)12-16(17(15)21-7)19(4,5)6/h11-12,20H,8-10,13H2,1-7H3
InChIKeyHDOJIOBSNQREML-UHFFFAOYSA-N
XLogP4.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol 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

Butylated hydroxymethylphenol
CID 6929
Triton X 100
CID 5590
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775
Cgp-7930
CID 5024764
2,6-Di-tert-butyl-4-(methoxymethyl)phenol
CID 6911
2-(4-Ethoxyphenyl)-2-methylpropanol
CID 158525
4-Methoxyhonokiol
CID 155160
2,4-Bis(1,1-dimethylethyl)-6-((4-methoxyphenyl)methyl)phenol
CID 100577
2-[[2-(Acetyloxy)-3-(1,1-dimethylethyl)-5-methylphenyl]methyl]-6-(1,1-dimethylethyl)-4-methylphenol
CID 18539736
Octoxynol-3
CID 448876
Di-(3,5-di-tert-butyl-4-hydroxybenzyl)ether
CID 81340
LG190178
CID 15521397

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol?
The IUPAC name of 3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol (CID 21199268) is 3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol.
What is the SMILES notation for 3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol?
The canonical SMILES for 3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol is COc1c(C(C)(C)C)cc(COCCCO)cc1C(C)(C)C.
What is the InChIKey of 3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol?
The InChIKey is HDOJIOBSNQREML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-18(2,3)15-11-14(13-22-10-8-9-20)12-16(17(15)21-7)19(4,5)6/h11-12,20H,8-10,13H2,1-7H3.
What are the key properties of 3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol?
3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol has a molecular weight of 308.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-ditert-butyl-4-methoxyphenyl)methoxy]propan-1-ol is sourced from PubChem (CID 21199268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).