[4-(ethoxymethyl)phenyl]methoxymethanol

C11H16O3 — CID 144565304

IUPAC[4-(ethoxymethyl)phenyl]methoxymethanol
SMILESCCOCc1ccc(COCO)cc1
InChIInChI=1S/C11H16O3/c1-2-13-7-10-3-5-11(6-4-10)8-14-9-12/h3-6,12H,2,7-9H2,1H3
InChIKeyFMYNUVUNNCMSKQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.69
Rot. Bonds6

About [4-(ethoxymethyl)phenyl]methoxymethanol

[4-(ethoxymethyl)phenyl]methoxymethanol (PubChem CID 144565304) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is [4-(ethoxymethyl)phenyl]methoxymethanol.

Molecular Properties

Compound Name[4-(ethoxymethyl)phenyl]methoxymethanol
PubChem CID144565304
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name[4-(ethoxymethyl)phenyl]methoxymethanol
SMILESCCOCc1ccc(COCO)cc1
InChIInChI=1S/C11H16O3/c1-2-13-7-10-3-5-11(6-4-10)8-14-9-12/h3-6,12H,2,7-9H2,1H3
InChIKeyFMYNUVUNNCMSKQ-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [4-(ethoxymethyl)phenyl]methoxymethanol?
The IUPAC name of [4-(ethoxymethyl)phenyl]methoxymethanol (CID 144565304) is [4-(ethoxymethyl)phenyl]methoxymethanol.
What is the SMILES notation for [4-(ethoxymethyl)phenyl]methoxymethanol?
The canonical SMILES for [4-(ethoxymethyl)phenyl]methoxymethanol is CCOCc1ccc(COCO)cc1.
What is the InChIKey of [4-(ethoxymethyl)phenyl]methoxymethanol?
The InChIKey is FMYNUVUNNCMSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-13-7-10-3-5-11(6-4-10)8-14-9-12/h3-6,12H,2,7-9H2,1H3.
What are the key properties of [4-(ethoxymethyl)phenyl]methoxymethanol?
[4-(ethoxymethyl)phenyl]methoxymethanol has a molecular weight of 196.25 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxymethyl)phenyl]methoxymethanol is sourced from PubChem (CID 144565304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).