2-[2,4-bis(methoxymethoxy)phenyl]ethanol

C12H18O5 — CID 175027398

IUPAC2-[2,4-bis(methoxymethoxy)phenyl]ethanol
SMILESCOCOc1ccc(CCO)c(OCOC)c1
InChIInChI=1S/C12H18O5/c1-14-8-16-11-4-3-10(5-6-13)12(7-11)17-9-15-2/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyPVGXFADXUBCOCF-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.19
Rot. Bonds8

About 2-[2,4-bis(methoxymethoxy)phenyl]ethanol

2-[2,4-bis(methoxymethoxy)phenyl]ethanol (PubChem CID 175027398) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[2,4-bis(methoxymethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[2,4-bis(methoxymethoxy)phenyl]ethanol
PubChem CID175027398
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-[2,4-bis(methoxymethoxy)phenyl]ethanol
SMILESCOCOc1ccc(CCO)c(OCOC)c1
InChIInChI=1S/C12H18O5/c1-14-8-16-11-4-3-10(5-6-13)12(7-11)17-9-15-2/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyPVGXFADXUBCOCF-UHFFFAOYSA-N
XLogP1.19
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.19
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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Related Compounds

2-[4-(methoxymethoxy)phenyl]ethanol
CID 16638841
2-[3-(methoxymethoxy)-4-pyridinyl]ethanol
CID 68725947
(1S,2S)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[4-(methoxymethoxy)phenyl]propane-1,2-diol
CID 10993232
1,4-bis(methoxymethoxy)benzene
CID 542643
[2-methoxy-4-(methoxymethoxy)phenyl]boronic acid
CID 10889201
7-[2-(methoxymethoxy)phenyl]heptan-1-ol
CID 15737185
2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol
CID 23651183
2-(4-ethoxy-2-fluorophenyl)ethanol
CID 117279842
3-[(E)-5-[2,4-bis(methoxymethoxy)phenyl]-3-methylpent-3-enyl]-2,2-dimethyloxirane
CID 102590625
4-[2,4-bis(methoxymethoxy)phenyl]-2,3,5,6-tetrakis(sulfanyl)pyran-4-ol
CID 87133267
4-bromobenzene-1,3-diol;1-bromo-2,4-bis(methoxymethoxy)benzene
CID 157301717
[4-(methoxymethoxy)phenyl]methanol
CID 11607984

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(methoxymethoxy)phenyl]ethanol?
The IUPAC name of 2-[2,4-bis(methoxymethoxy)phenyl]ethanol (CID 175027398) is 2-[2,4-bis(methoxymethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[2,4-bis(methoxymethoxy)phenyl]ethanol?
The canonical SMILES for 2-[2,4-bis(methoxymethoxy)phenyl]ethanol is COCOc1ccc(CCO)c(OCOC)c1.
What is the InChIKey of 2-[2,4-bis(methoxymethoxy)phenyl]ethanol?
The InChIKey is PVGXFADXUBCOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-14-8-16-11-4-3-10(5-6-13)12(7-11)17-9-15-2/h3-4,7,13H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[2,4-bis(methoxymethoxy)phenyl]ethanol?
2-[2,4-bis(methoxymethoxy)phenyl]ethanol has a molecular weight of 242.27 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(methoxymethoxy)phenyl]ethanol is sourced from PubChem (CID 175027398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).