3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol

C12H18O4 — CID 82001079

IUPAC3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
SMILESCOc1ccc(C(C)O)c(OCCCO)c1
InChIInChI=1S/C12H18O4/c1-9(14)11-5-4-10(15-2)8-12(11)16-7-3-6-13/h4-5,8-9,13-14H,3,6-7H2,1-2H3
InChIKeyWNNVVLXRIFDEPG-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.51
Rot. Bonds6

About 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol

3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol (PubChem CID 82001079) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
PubChem CID82001079
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
SMILESCOc1ccc(C(C)O)c(OCCCO)c1
InChIInChI=1S/C12H18O4/c1-9(14)11-5-4-10(15-2)8-12(11)16-7-3-6-13/h4-5,8-9,13-14H,3,6-7H2,1-2H3
InChIKeyWNNVVLXRIFDEPG-UHFFFAOYSA-N
XLogP1.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
CID 82001346
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
CID 82850808
methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate
CID 82001396
(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034207
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
(1R)-1-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 82000959

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol?
The IUPAC name of 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol (CID 82001079) is 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol.
What is the SMILES notation for 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol?
The canonical SMILES for 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol is COc1ccc(C(C)O)c(OCCCO)c1.
What is the InChIKey of 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol?
The InChIKey is WNNVVLXRIFDEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-9(14)11-5-4-10(15-2)8-12(11)16-7-3-6-13/h4-5,8-9,13-14H,3,6-7H2,1-2H3.
What are the key properties of 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol?
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol has a molecular weight of 226.27 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol is sourced from PubChem (CID 82001079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).