2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol

C12H18O5 — CID 61071627

IUPAC2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol
SMILESCOc1ccc(CO)cc1OCCOCCO
InChIInChI=1S/C12H18O5/c1-15-11-3-2-10(9-14)8-12(11)17-7-6-16-5-4-13/h2-3,8,13-14H,4-7,9H2,1H3
InChIKeyVFWMXBDKYKPLMI-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.58
Rot. Bonds8

About 2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol

2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol (PubChem CID 61071627) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol
PubChem CID61071627
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol
SMILESCOc1ccc(CO)cc1OCCOCCO
InChIInChI=1S/C12H18O5/c1-15-11-3-2-10(9-14)8-12(11)17-7-6-16-5-4-13/h2-3,8,13-14H,4-7,9H2,1H3
InChIKeyVFWMXBDKYKPLMI-UHFFFAOYSA-N
XLogP0.58
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol
CID 61484214
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
CID 54958038
5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide
CID 114281672
(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
CID 28562276
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
CID 89126006
2-[2-methoxy-4-(methoxymethyl)phenoxy]ethanol
CID 102411892

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol (CID 61071627) is 2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol is COc1ccc(CO)cc1OCCOCCO.
What is the InChIKey of 2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol?
The InChIKey is VFWMXBDKYKPLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-15-11-3-2-10(9-14)8-12(11)17-7-6-16-5-4-13/h2-3,8,13-14H,4-7,9H2,1H3.
What are the key properties of 2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol?
2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol has a molecular weight of 242.27 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol is sourced from PubChem (CID 61071627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).