2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol

C16H26O4 — CID 139715170

IUPAC2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol
SMILESCCCC(CO)Oc1cccc(OC(CO)CCC)c1
InChIInChI=1S/C16H26O4/c1-3-6-15(11-17)19-13-8-5-9-14(10-13)20-16(12-18)7-4-2/h5,8-10,15-18H,3-4,6-7,11-12H2,1-2H3
InChIKeyXHKOCANXAWORLD-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.77
Rot. Bonds10

About 2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol

2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol (PubChem CID 139715170) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol.

Molecular Properties

Compound Name2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol
PubChem CID139715170
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol
SMILESCCCC(CO)Oc1cccc(OC(CO)CCC)c1
InChIInChI=1S/C16H26O4/c1-3-6-15(11-17)19-13-8-5-9-14(10-13)20-16(12-18)7-4-2/h5,8-10,15-18H,3-4,6-7,11-12H2,1-2H3
InChIKeyXHKOCANXAWORLD-UHFFFAOYSA-N
XLogP2.77
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol?
The IUPAC name of 2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol (CID 139715170) is 2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol.
What is the SMILES notation for 2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol?
The canonical SMILES for 2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol is CCCC(CO)Oc1cccc(OC(CO)CCC)c1.
What is the InChIKey of 2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol?
The InChIKey is XHKOCANXAWORLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-3-6-15(11-17)19-13-8-5-9-14(10-13)20-16(12-18)7-4-2/h5,8-10,15-18H,3-4,6-7,11-12H2,1-2H3.
What are the key properties of 2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol?
2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol is sourced from PubChem (CID 139715170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).