boric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene

C26H33BO5 — CID 175481277

IUPACboric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccccc1.CC(C)(O)C(C)(C)O.OB(O)O
InChIInChI=1S/C20H16.C6H14O2.BH3O3/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-5(2,7)6(3,4)8;2-1(3)4/h1-16H;7-8H,1-4H3;2-4H
InChIKeyRZKFANZOHGZYLA-UHFFFAOYSA-N
MW436.36 g/mol
LogP3.75
Rot. Bonds4

About boric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene

boric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene (PubChem CID 175481277) has the molecular formula C26H33BO5 and a molecular weight of 436.36 g/mol. Its IUPAC name is boric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene.

Molecular Properties

Compound Nameboric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene
PubChem CID175481277
Molecular FormulaC26H33BO5
Molecular Weight436.36 g/mol
Exact Mass436.24
IUPAC Nameboric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccccc1.CC(C)(O)C(C)(C)O.OB(O)O
InChIInChI=1S/C20H16.C6H14O2.BH3O3/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-5(2,7)6(3,4)8;2-1(3)4/h1-16H;7-8H,1-4H3;2-4H
InChIKeyRZKFANZOHGZYLA-UHFFFAOYSA-N
XLogP3.75
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 53.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 173126547
CID 173126547
CID 172843956
CID 172843956
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566
1,2-diphenylethenylbenzene;2-methylphenol
CID 159908422
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene
CID 23400804
1,2-diphenylethenylbenzene;furan
CID 175372951
2-[2-[(E)-1,2-diphenylethenyl]phenyl]propan-2-amine
CID 102527150
[4-(2,2-diphenylethenyl)phenoxy]boronic acid
CID 23020580

Frequently Asked Questions

What is the IUPAC name of boric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene?
The IUPAC name of boric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene (CID 175481277) is boric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene.
What is the SMILES notation for boric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene?
The canonical SMILES for boric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene is C(=C(c1ccccc1)c1ccccc1)c1ccccc1.CC(C)(O)C(C)(C)O.OB(O)O.
What is the InChIKey of boric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene?
The InChIKey is RZKFANZOHGZYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16.C6H14O2.BH3O3/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-5(2,7)6(3,4)8;2-1(3)4/h1-16H;7-8H,1-4H3;2-4H.
What are the key properties of boric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene?
boric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene has a molecular weight of 436.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene is sourced from PubChem (CID 175481277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).