1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol

C21H28O6 — CID 155529486

IUPAC1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol
SMILESCOc1cc(CC(C)O)ccc1Oc1cc(CC(C)O)cc(OC)c1OC
InChIInChI=1S/C21H28O6/c1-13(22)8-15-6-7-17(18(10-15)24-3)27-20-12-16(9-14(2)23)11-19(25-4)21(20)26-5/h6-7,10-14,22-23H,8-9H2,1-5H3
InChIKeyBMGFPMOVVJSUPC-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.35
Rot. Bonds9

About 1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol

1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol (PubChem CID 155529486) has the molecular formula C21H28O6 and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol
PubChem CID155529486
Molecular FormulaC21H28O6
Molecular Weight376.45 g/mol
Exact Mass376.19
IUPAC Name1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol
SMILESCOc1cc(CC(C)O)ccc1Oc1cc(CC(C)O)cc(OC)c1OC
InChIInChI=1S/C21H28O6/c1-13(22)8-15-6-7-17(18(10-15)24-3)27-20-12-16(9-14(2)23)11-19(25-4)21(20)26-5/h6-7,10-14,22-23H,8-9H2,1-5H3
InChIKeyBMGFPMOVVJSUPC-UHFFFAOYSA-N
XLogP3.35
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol?
The IUPAC name of 1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol (CID 155529486) is 1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol.
What is the SMILES notation for 1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol?
The canonical SMILES for 1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol is COc1cc(CC(C)O)ccc1Oc1cc(CC(C)O)cc(OC)c1OC.
What is the InChIKey of 1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol?
The InChIKey is BMGFPMOVVJSUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O6/c1-13(22)8-15-6-7-17(18(10-15)24-3)27-20-12-16(9-14(2)23)11-19(25-4)21(20)26-5/h6-7,10-14,22-23H,8-9H2,1-5H3.
What are the key properties of 1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol?
1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol has a molecular weight of 376.45 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-hydroxypropyl)-2,3-dimethoxyphenoxy]-3-methoxyphenyl]propan-2-ol is sourced from PubChem (CID 155529486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).