1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone

C24H28O5 — CID 59058209

IUPAC1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone
SMILESO=C(Cc1ccc(OC2CCCCO2)cc1)c1ccc(C2CCCCO2)cc1O
InChIInChI=1S/C24H28O5/c25-21(20-12-9-18(16-22(20)26)23-5-1-3-13-27-23)15-17-7-10-19(11-8-17)29-24-6-2-4-14-28-24/h7-12,16,23-24,26H,1-6,13-15H2
InChIKeyAWHXECDDOWSZRL-UHFFFAOYSA-N
MW396.48 g/mol
LogP4.96
Rot. Bonds6

About 1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone

1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone (PubChem CID 59058209) has the molecular formula C24H28O5 and a molecular weight of 396.48 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone
PubChem CID59058209
Molecular FormulaC24H28O5
Molecular Weight396.48 g/mol
Exact Mass396.19
IUPAC Name1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone
SMILESO=C(Cc1ccc(OC2CCCCO2)cc1)c1ccc(C2CCCCO2)cc1O
InChIInChI=1S/C24H28O5/c25-21(20-12-9-18(16-22(20)26)23-5-1-3-13-27-23)15-17-7-10-19(11-8-17)29-24-6-2-4-14-28-24/h7-12,16,23-24,26H,1-6,13-15H2
InChIKeyAWHXECDDOWSZRL-UHFFFAOYSA-N
XLogP4.96
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone (CID 59058209) is 1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone is O=C(Cc1ccc(OC2CCCCO2)cc1)c1ccc(C2CCCCO2)cc1O.
What is the InChIKey of 1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone?
The InChIKey is AWHXECDDOWSZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O5/c25-21(20-12-9-18(16-22(20)26)23-5-1-3-13-27-23)15-17-7-10-19(11-8-17)29-24-6-2-4-14-28-24/h7-12,16,23-24,26H,1-6,13-15H2.
What are the key properties of 1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone?
1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone has a molecular weight of 396.48 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(oxan-2-yl)phenyl]-2-[4-(oxan-2-yloxy)phenyl]ethanone is sourced from PubChem (CID 59058209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).