3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol

C20H26O6 — CID 139630943

IUPAC3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol
SMILESCC(c1ccc(OCC(O)CO)cc1)c1ccc(OCC(O)CO)cc1
InChIInChI=1S/C20H26O6/c1-14(15-2-6-19(7-3-15)25-12-17(23)10-21)16-4-8-20(9-5-16)26-13-18(24)11-22/h2-9,14,17-18,21-24H,10-13H2,1H3
InChIKeyDSDSKTZWDNZMLB-UHFFFAOYSA-N
MW362.42 g/mol
LogP1.30
Rot. Bonds10

About 3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol

3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol (PubChem CID 139630943) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is 3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol
PubChem CID139630943
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol
SMILESCC(c1ccc(OCC(O)CO)cc1)c1ccc(OCC(O)CO)cc1
InChIInChI=1S/C20H26O6/c1-14(15-2-6-19(7-3-15)25-12-17(23)10-21)16-4-8-20(9-5-16)26-13-18(24)11-22/h2-9,14,17-18,21-24H,10-13H2,1H3
InChIKeyDSDSKTZWDNZMLB-UHFFFAOYSA-N
XLogP1.30
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-chloro-3-[4-[1-[4-(3-chloro-2-hydroxypropoxy)phenyl]ethyl]phenoxy]propan-2-ol
CID 101328609
3-phenoxypropane-1,2-diol
CID 10857
3-phenoxypropane-1,2-diol
CID 158587241
3-[4-[[4-(3-hydroxy-2-methylpropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
CID 70897892
ethane;2-methylpropane;tris(3-phenoxypropane-1,2-diol);propane
CID 162110653
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
CID 20544404
actinium;3-phenoxypropane-1,2-diol
CID 22981458
3-[4-[1-(propylamino)propyl]phenoxy]propane-1,2-diol
CID 82850496
[2-hydroxy-3-[4-[1-[4-(2-hydroxy-3-prop-2-ynoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-ynoate
CID 169320175
1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374
3-[4-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 82850377
3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol
CID 82849501

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol?
The IUPAC name of 3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol (CID 139630943) is 3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol is CC(c1ccc(OCC(O)CO)cc1)c1ccc(OCC(O)CO)cc1.
What is the InChIKey of 3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol?
The InChIKey is DSDSKTZWDNZMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c1-14(15-2-6-19(7-3-15)25-12-17(23)10-21)16-4-8-20(9-5-16)26-13-18(24)11-22/h2-9,14,17-18,21-24H,10-13H2,1H3.
What are the key properties of 3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol?
3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol has a molecular weight of 362.42 g/mol, XLogP of 1.30, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 139630943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).