1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol

C18H30O6 — CID 139698251

IUPAC1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol
SMILESCC(O)COCCOc1ccc(CCOCC(C)O)c(CCO)c1
InChIInChI=1S/C18H30O6/c1-14(20)12-22-8-6-16-3-4-18(11-17(16)5-7-19)24-10-9-23-13-15(2)21/h3-4,11,14-15,19-21H,5-10,12-13H2,1-2H3
InChIKeyLGZVOUWKKUVHIN-UHFFFAOYSA-N
MW342.43 g/mol
LogP0.94
Rot. Bonds13

About 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol

1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol (PubChem CID 139698251) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol
PubChem CID139698251
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol
SMILESCC(O)COCCOc1ccc(CCOCC(C)O)c(CCO)c1
InChIInChI=1S/C18H30O6/c1-14(20)12-22-8-6-16-3-4-18(11-17(16)5-7-19)24-10-9-23-13-15(2)21/h3-4,11,14-15,19-21H,5-10,12-13H2,1-2H3
InChIKeyLGZVOUWKKUVHIN-UHFFFAOYSA-N
XLogP0.94
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3-(hydroxymethyl)-4-(2-hydroxypropoxymethyl)phenoxy]ethoxy]propan-2-ol
CID 139698254
1-[2-[3-(2-hydroxyethyl)-5-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol
CID 139698276
[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol
CID 106453700
3-(3,4-diheptylphenoxy)propan-1-ol
CID 21351892
4-[2-(2-hydroxypropoxy)ethyl]benzene-1,3-dicarboxylic acid
CID 139699705
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate
CID 91450828
2-[2,4-bis(methoxymethoxy)phenyl]ethanol
CID 175027398
bis[2-(2-hydroxypropoxy)ethyl] carbonate
CID 141093104
1-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 107719630

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol?
The IUPAC name of 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol (CID 139698251) is 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol?
The canonical SMILES for 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol is CC(O)COCCOc1ccc(CCOCC(C)O)c(CCO)c1.
What is the InChIKey of 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol?
The InChIKey is LGZVOUWKKUVHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O6/c1-14(20)12-22-8-6-16-3-4-18(11-17(16)5-7-19)24-10-9-23-13-15(2)21/h3-4,11,14-15,19-21H,5-10,12-13H2,1-2H3.
What are the key properties of 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol?
1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol has a molecular weight of 342.43 g/mol, XLogP of 0.94, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol is sourced from PubChem (CID 139698251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).