2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol

C15H24O5 — CID 101076400

IUPAC2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol
SMILESCOCOc1c(C)c(C)c(OCOC)c(CCO)c1C
InChIInChI=1S/C15H24O5/c1-10-11(2)15(20-9-18-5)13(6-7-16)12(3)14(10)19-8-17-4/h16H,6-9H2,1-5H3
InChIKeyVDXSLQSOKVPWSH-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.11
Rot. Bonds8

About 2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol

2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol (PubChem CID 101076400) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol.

Molecular Properties

Compound Name2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol
PubChem CID101076400
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol
SMILESCOCOc1c(C)c(C)c(OCOC)c(CCO)c1C
InChIInChI=1S/C15H24O5/c1-10-11(2)15(20-9-18-5)13(6-7-16)12(3)14(10)19-8-17-4/h16H,6-9H2,1-5H3
InChIKeyVDXSLQSOKVPWSH-UHFFFAOYSA-N
XLogP2.11
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol?
The IUPAC name of 2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol (CID 101076400) is 2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol.
What is the SMILES notation for 2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol?
The canonical SMILES for 2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol is COCOc1c(C)c(C)c(OCOC)c(CCO)c1C.
What is the InChIKey of 2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol?
The InChIKey is VDXSLQSOKVPWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-10-11(2)15(20-9-18-5)13(6-7-16)12(3)14(10)19-8-17-4/h16H,6-9H2,1-5H3.
What are the key properties of 2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol?
2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol has a molecular weight of 284.35 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(methoxymethoxy)-3,4,6-trimethylphenyl]ethanol is sourced from PubChem (CID 101076400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).