1-[4-(dimethoxymethyl)phenoxy]ethanol

C11H16O4 — CID 18551503

IUPAC1-[4-(dimethoxymethyl)phenoxy]ethanol
SMILESCOC(OC)c1ccc(OC(C)O)cc1
InChIInChI=1S/C11H16O4/c1-8(12)15-10-6-4-9(5-7-10)11(13-2)14-3/h4-8,11-12H,1-3H3
InChIKeyNHIILPGVJPQFCJ-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.70
Rot. Bonds5

About 1-[4-(dimethoxymethyl)phenoxy]ethanol

1-[4-(dimethoxymethyl)phenoxy]ethanol (PubChem CID 18551503) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-[4-(dimethoxymethyl)phenoxy]ethanol.

Molecular Properties

Compound Name1-[4-(dimethoxymethyl)phenoxy]ethanol
PubChem CID18551503
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-[4-(dimethoxymethyl)phenoxy]ethanol
SMILESCOC(OC)c1ccc(OC(C)O)cc1
InChIInChI=1S/C11H16O4/c1-8(12)15-10-6-4-9(5-7-10)11(13-2)14-3/h4-8,11-12H,1-3H3
InChIKeyNHIILPGVJPQFCJ-UHFFFAOYSA-N
XLogP1.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol
CID 18791858
1-[4-(4-methoxyphenyl)phenoxy]ethanol
CID 19939691
1-phenoxyethanol
CID 66611531
1-phenoxyethanol;trihydrate
CID 175915128
anisole;1-phenoxyethanol
CID 143208941
[4-(dimethoxymethyl)phenyl] carbamate
CID 174943505
1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol
CID 161419834
[4-(dimethoxymethyl)phenyl]-dimethylsilane
CID 150941180
chloroform;1-phenoxyethanol
CID 160851082
1-[4-(N-[4-(1-hydroxyethoxy)phenyl]anilino)phenoxy]ethanol
CID 71095161
1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol
CID 71095103
1-tert-butyl-4-(dimethoxymethyl)benzene
CID 11085047

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethoxymethyl)phenoxy]ethanol?
The IUPAC name of 1-[4-(dimethoxymethyl)phenoxy]ethanol (CID 18551503) is 1-[4-(dimethoxymethyl)phenoxy]ethanol.
What is the SMILES notation for 1-[4-(dimethoxymethyl)phenoxy]ethanol?
The canonical SMILES for 1-[4-(dimethoxymethyl)phenoxy]ethanol is COC(OC)c1ccc(OC(C)O)cc1.
What is the InChIKey of 1-[4-(dimethoxymethyl)phenoxy]ethanol?
The InChIKey is NHIILPGVJPQFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-8(12)15-10-6-4-9(5-7-10)11(13-2)14-3/h4-8,11-12H,1-3H3.
What are the key properties of 1-[4-(dimethoxymethyl)phenoxy]ethanol?
1-[4-(dimethoxymethyl)phenoxy]ethanol has a molecular weight of 212.24 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethoxymethyl)phenoxy]ethanol is sourced from PubChem (CID 18551503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).