2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone

C24H28O6 — CID 54303878

IUPAC2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone
SMILESO=C(Cc1ccc(OC2(O)CC(OC3CCCCO3)CCO2)cc1)c1ccccc1
InChIInChI=1S/C24H28O6/c25-22(19-6-2-1-3-7-19)16-18-9-11-20(12-10-18)30-24(26)17-21(13-15-28-24)29-23-8-4-5-14-27-23/h1-3,6-7,9-12,21,23,26H,4-5,8,13-17H2
InChIKeySGCOSGCHTQBTAN-UHFFFAOYSA-N
MW412.48 g/mol
LogP3.86
Rot. Bonds7

About 2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone

2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone (PubChem CID 54303878) has the molecular formula C24H28O6 and a molecular weight of 412.48 g/mol. Its IUPAC name is 2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone
PubChem CID54303878
Molecular FormulaC24H28O6
Molecular Weight412.48 g/mol
Exact Mass412.19
IUPAC Name2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone
SMILESO=C(Cc1ccc(OC2(O)CC(OC3CCCCO3)CCO2)cc1)c1ccccc1
InChIInChI=1S/C24H28O6/c25-22(19-6-2-1-3-7-19)16-18-9-11-20(12-10-18)30-24(26)17-21(13-15-28-24)29-23-8-4-5-14-27-23/h1-3,6-7,9-12,21,23,26H,4-5,8,13-17H2
InChIKeySGCOSGCHTQBTAN-UHFFFAOYSA-N
XLogP3.86
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94817277
8-(oxan-2-yloxy)octyl benzoate
CID 11551737
[(1R,2S,4R)-2-(hydroxymethyl)-4-(oxan-2-yloxy)cyclopentyl] benzoate
CID 11255661
2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone
CID 157181032
bis(oxan-2-yl) 2-benzylpropanedioate
CID 14723470
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
CID 131720683
1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone
CID 10945509
4-(oxan-2-yloxy)benzoic acid
CID 11183645
2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one
CID 22163386
oxan-2-yl 3-phenylpropanoate
CID 10609743
1-benzyl-3-(oxan-2-yloxy)pyrrolidine
CID 18687581

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone?
The IUPAC name of 2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone (CID 54303878) is 2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone.
What is the SMILES notation for 2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone?
The canonical SMILES for 2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone is O=C(Cc1ccc(OC2(O)CC(OC3CCCCO3)CCO2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone?
The InChIKey is SGCOSGCHTQBTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O6/c25-22(19-6-2-1-3-7-19)16-18-9-11-20(12-10-18)30-24(26)17-21(13-15-28-24)29-23-8-4-5-14-27-23/h1-3,6-7,9-12,21,23,26H,4-5,8,13-17H2.
What are the key properties of 2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone?
2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone has a molecular weight of 412.48 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-hydroxy-4-(oxan-2-yloxy)oxan-2-yl]oxyphenyl]-1-phenylethanone is sourced from PubChem (CID 54303878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).