2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone

C26H32O7 — CID 15156922

IUPAC2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone
SMILESC=CCOCC(O)COC(OCC(O)COCC=C)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32O7/c1-3-15-30-17-23(27)19-32-26(22-13-9-6-10-14-22,25(29)21-11-7-5-8-12-21)33-20-24(28)18-31-16-4-2/h3-14,23-24,27-28H,1-2,15-20H2
InChIKeyCNNWAROLEMXKQS-UHFFFAOYSA-N
MW456.54 g/mol
LogP2.88
Rot. Bonds17

About 2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone

2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone (PubChem CID 15156922) has the molecular formula C26H32O7 and a molecular weight of 456.54 g/mol. Its IUPAC name is 2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone.

Molecular Properties

Compound Name2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone
PubChem CID15156922
Molecular FormulaC26H32O7
Molecular Weight456.54 g/mol
Exact Mass456.21
IUPAC Name2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone
SMILESC=CCOCC(O)COC(OCC(O)COCC=C)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32O7/c1-3-15-30-17-23(27)19-32-26(22-13-9-6-10-14-22,25(29)21-11-7-5-8-12-21)33-20-24(28)18-31-16-4-2/h3-14,23-24,27-28H,1-2,15-20H2
InChIKeyCNNWAROLEMXKQS-UHFFFAOYSA-N
XLogP2.88
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone with MolForge

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Related Compounds

1-prop-2-enoxy-3-trityloxypropan-2-ol
CID 3540668
2,2-bis(2-methoxyethoxy)-1,2-diphenylethanone
CID 14762562
2-methoxy-2-methylperoxy-1,2-diphenylethanone;prop-2-enoic acid
CID 88598506
1-non-8-enoxy-3-trityloxypropan-2-ol
CID 168868350
2,2-di(butan-2-yloxy)-1,2-diphenylethanone
CID 19035365
2,2-dimethoxy-1,2-diphenylethanone;molecular iodine
CID 161260552
2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
CID 174460969
bis(prop-2-enyl) 2,3-dibenzoyl-2,3-dihydroxybutanedioate
CID 139918601
2,2-bis(2-dimethoxyphosphorylethoxy)-1,2-diphenylethanone
CID 21312878
(2S)-1-(benzylamino)-3-prop-2-enoxypropan-2-ol
CID 34178559
(2S,3R)-2-(methoxymethoxy)-1,2,3-triphenylpent-4-en-1-one
CID 132538281
sodium;benzenesulfonate;3-prop-2-enoxypropane-1,2-diol
CID 87917141

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone?
The IUPAC name of 2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone (CID 15156922) is 2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone.
What is the SMILES notation for 2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone?
The canonical SMILES for 2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone is C=CCOCC(O)COC(OCC(O)COCC=C)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone?
The InChIKey is CNNWAROLEMXKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O7/c1-3-15-30-17-23(27)19-32-26(22-13-9-6-10-14-22,25(29)21-11-7-5-8-12-21)33-20-24(28)18-31-16-4-2/h3-14,23-24,27-28H,1-2,15-20H2.
What are the key properties of 2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone?
2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone has a molecular weight of 456.54 g/mol, XLogP of 2.88, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-hydroxy-3-prop-2-enoxypropoxy)-1,2-diphenylethanone is sourced from PubChem (CID 15156922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).