2,5-dibutoxy-3,6-dimethylphenol

C16H26O3 — CID 90435242

IUPAC2,5-dibutoxy-3,6-dimethylphenol
SMILESCCCCOc1cc(C)c(OCCCC)c(O)c1C
InChIInChI=1S/C16H26O3/c1-5-7-9-18-14-11-12(3)16(15(17)13(14)4)19-10-8-6-2/h11,17H,5-10H2,1-4H3
InChIKeyMYKUNMYIUGXRBZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.37
Rot. Bonds8

About 2,5-dibutoxy-3,6-dimethylphenol

2,5-dibutoxy-3,6-dimethylphenol (PubChem CID 90435242) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2,5-dibutoxy-3,6-dimethylphenol.

Molecular Properties

Compound Name2,5-dibutoxy-3,6-dimethylphenol
PubChem CID90435242
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2,5-dibutoxy-3,6-dimethylphenol
SMILESCCCCOc1cc(C)c(OCCCC)c(O)c1C
InChIInChI=1S/C16H26O3/c1-5-7-9-18-14-11-12(3)16(15(17)13(14)4)19-10-8-6-2/h11,17H,5-10H2,1-4H3
InChIKeyMYKUNMYIUGXRBZ-UHFFFAOYSA-N
XLogP4.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-dibutoxy-3,6-dimethylphenol 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

1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
2-butoxy-1,4-dimethoxy-3,5-dimethylbenzene
CID 10633685
3-butoxy-2,5-dimethylphenol
CID 139788128
1,2,3,4-tetramethyl-5-propoxybenzene
CID 143028127
4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol
CID 10659422
1-butoxy-4-methoxy-2,5-dimethylbenzene
CID 58371109
3-butoxy-4-methylphenol
CID 54016675
4-(2-bromoethoxy)-2,3,6-trimethylphenol
CID 10539183
1,3-dibutoxy-2-methylbenzene
CID 14475066
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
(4-butoxy-3,5-dimethylphenyl) acetate
CID 91036893
4-[5-(2-bromoethoxy)pentoxy]-2,3,6-trimethylphenol
CID 139840535

Frequently Asked Questions

What is the IUPAC name of 2,5-dibutoxy-3,6-dimethylphenol?
The IUPAC name of 2,5-dibutoxy-3,6-dimethylphenol (CID 90435242) is 2,5-dibutoxy-3,6-dimethylphenol.
What is the SMILES notation for 2,5-dibutoxy-3,6-dimethylphenol?
The canonical SMILES for 2,5-dibutoxy-3,6-dimethylphenol is CCCCOc1cc(C)c(OCCCC)c(O)c1C.
What is the InChIKey of 2,5-dibutoxy-3,6-dimethylphenol?
The InChIKey is MYKUNMYIUGXRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-5-7-9-18-14-11-12(3)16(15(17)13(14)4)19-10-8-6-2/h11,17H,5-10H2,1-4H3.
What are the key properties of 2,5-dibutoxy-3,6-dimethylphenol?
2,5-dibutoxy-3,6-dimethylphenol has a molecular weight of 266.38 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutoxy-3,6-dimethylphenol is sourced from PubChem (CID 90435242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).