benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone

C35H32O5 — CID 87963505

IUPACbenzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(O)c1ccccc1.O=Cc1ccccc1.OC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H14O2.C14H12O2.C7H6O/c2*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;8-6-7-4-2-1-3-5-7/h1-10,13-16H;1-10,13,15H;1-6H
InChIKeyLWHKNYXZUQNTTK-UHFFFAOYSA-N
MW532.64 g/mol
LogP6.56
Rot. Bonds7

About benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone

benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone (PubChem CID 87963505) has the molecular formula C35H32O5 and a molecular weight of 532.64 g/mol. Its IUPAC name is benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone.

Molecular Properties

Compound Namebenzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone
PubChem CID87963505
Molecular FormulaC35H32O5
Molecular Weight532.64 g/mol
Exact Mass532.22
IUPAC Namebenzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(O)c1ccccc1.O=Cc1ccccc1.OC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C14H14O2.C14H12O2.C7H6O/c2*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;8-6-7-4-2-1-3-5-7/h1-10,13-16H;1-10,13,15H;1-6H
InChIKeyLWHKNYXZUQNTTK-UHFFFAOYSA-N
XLogP6.56
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-1,2-diphenylethanone
CID 159399559
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
acetaldehyde;2-hydroxy-1,2-diphenylethanone;(2S)-2-hydroxy-1,2-diphenylethanone;(2R)-2-hydroxy-1-phenylpropan-1-one;methane
CID 159381131
2-hydroxy-1,2-diphenylethanone;prop-2-enoic acid
CID 57368066
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
(2S,3R)-3-hydroxy-1,2,3-triphenylpropan-1-one
CID 46221169
2-hydroxy-1,2-diphenylethanone;propanoic acid
CID 159329247
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
CID 174848942
benzaldehyde;2,3-dihydroxybutanedioic acid
CID 159567937
2-chloro-3-hydroxy-1,3-diphenylpropan-1-one
CID 12060204

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone?
The IUPAC name of benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone (CID 87963505) is benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone.
What is the SMILES notation for benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone?
The canonical SMILES for benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone is O=C(c1ccccc1)C(O)c1ccccc1.O=Cc1ccccc1.OC(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone?
The InChIKey is LWHKNYXZUQNTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.C14H12O2.C7H6O/c2*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;8-6-7-4-2-1-3-5-7/h1-10,13-16H;1-10,13,15H;1-6H.
What are the key properties of benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone?
benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone has a molecular weight of 532.64 g/mol, XLogP of 6.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;1,2-diphenylethane-1,2-diol;2-hydroxy-1,2-diphenylethanone is sourced from PubChem (CID 87963505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).