2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol

C14H22O6 — CID 11652150

IUPAC2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
SMILESCOc1cc(CCCO)cc(OC)c1OC(CO)CO
InChIInChI=1S/C14H22O6/c1-18-12-6-10(4-3-5-15)7-13(19-2)14(12)20-11(8-16)9-17/h6-7,11,15-17H,3-5,8-9H2,1-2H3
InChIKeyHZVNCUIVVVAJLV-UHFFFAOYSA-N
MW286.32 g/mol
LogP0.36
Rot. Bonds9

About 2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol

2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol (PubChem CID 11652150) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol.

Molecular Properties

Compound Name2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
PubChem CID11652150
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
SMILESCOc1cc(CCCO)cc(OC)c1OC(CO)CO
InChIInChI=1S/C14H22O6/c1-18-12-6-10(4-3-5-15)7-13(19-2)14(12)20-11(8-16)9-17/h6-7,11,15-17H,3-5,8-9H2,1-2H3
InChIKeyHZVNCUIVVVAJLV-UHFFFAOYSA-N
XLogP0.36
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,2R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
CID 162917938
3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol
CID 117287894
2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 162036765
3-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303122
2-(3-phenylpropyl)-5-(3,4,5-trimethoxyphenyl)pentan-1-ol
CID 22640074
2-(3,4-dimethoxy-5-methylphenyl)ethanol
CID 117286355
(2S,3R,4S,5S,6R)-2-[4-[(1S,2R)-1,3-dihydroxy-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162944317
methyl 3-hydroxy-2-[4-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy]propanoate
CID 78136685
5-(3-iodopropyl)-1,2,3-trimethoxybenzene
CID 10640570
1-[4-[(4-hydroxy-2,7-dioxabicyclo[4.1.0]hept-5-en-3-yl)oxy]-3-methoxyphenyl]-2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
CID 87688160
5-(3,4,5-trimethoxyphenyl)pentan-2-one
CID 10610814
2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]-3,4-dihydro-2H-pyran-3,4-diol
CID 69086660

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol?
The IUPAC name of 2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol (CID 11652150) is 2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol.
What is the SMILES notation for 2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol?
The canonical SMILES for 2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol is COc1cc(CCCO)cc(OC)c1OC(CO)CO.
What is the InChIKey of 2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol?
The InChIKey is HZVNCUIVVVAJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6/c1-18-12-6-10(4-3-5-15)7-13(19-2)14(12)20-11(8-16)9-17/h6-7,11,15-17H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol?
2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol has a molecular weight of 286.32 g/mol, XLogP of 0.36, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol is sourced from PubChem (CID 11652150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).