1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol

C20H30O4 — CID 90880604

IUPAC1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol
SMILESC=C(CC)c1cc(OCC(C)O)c(C(=C)CC)cc1OCC(C)O
InChIInChI=1S/C20H30O4/c1-7-13(3)17-9-20(24-12-16(6)22)18(14(4)8-2)10-19(17)23-11-15(5)21/h9-10,15-16,21-22H,3-4,7-8,11-12H2,1-2,5-6H3
InChIKeyGGQJIAPQBZJRDI-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.05
Rot. Bonds10

About 1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol

1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol (PubChem CID 90880604) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol
PubChem CID90880604
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol
SMILESC=C(CC)c1cc(OCC(C)O)c(C(=C)CC)cc1OCC(C)O
InChIInChI=1S/C20H30O4/c1-7-13(3)17-9-20(24-12-16(6)22)18(14(4)8-2)10-19(17)23-11-15(5)21/h9-10,15-16,21-22H,3-4,7-8,11-12H2,1-2,5-6H3
InChIKeyGGQJIAPQBZJRDI-UHFFFAOYSA-N
XLogP4.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol?
The IUPAC name of 1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol (CID 90880604) is 1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol?
The canonical SMILES for 1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol is C=C(CC)c1cc(OCC(C)O)c(C(=C)CC)cc1OCC(C)O.
What is the InChIKey of 1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol?
The InChIKey is GGQJIAPQBZJRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-7-13(3)17-9-20(24-12-16(6)22)18(14(4)8-2)10-19(17)23-11-15(5)21/h9-10,15-16,21-22H,3-4,7-8,11-12H2,1-2,5-6H3.
What are the key properties of 1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol?
1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol has a molecular weight of 334.46 g/mol, XLogP of 4.05, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-bis(but-1-en-2-yl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol is sourced from PubChem (CID 90880604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).