benzhydryl 2,2,2-triphenylacetate

C33H26O2 — CID 126186590

IUPACbenzhydryl 2,2,2-triphenylacetate
SMILESO=C(OC(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H26O2/c34-32(35-31(26-16-6-1-7-17-26)27-18-8-2-9-19-27)33(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25,31H
InChIKeyQSIHOSLDGZIVGZ-UHFFFAOYSA-N
MW454.57 g/mol
LogP7.35
Rot. Bonds7

About benzhydryl 2,2,2-triphenylacetate

benzhydryl 2,2,2-triphenylacetate (PubChem CID 126186590) has the molecular formula C33H26O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is benzhydryl 2,2,2-triphenylacetate.

Molecular Properties

Compound Namebenzhydryl 2,2,2-triphenylacetate
PubChem CID126186590
Molecular FormulaC33H26O2
Molecular Weight454.57 g/mol
Exact Mass454.19
IUPAC Namebenzhydryl 2,2,2-triphenylacetate
SMILESO=C(OC(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H26O2/c34-32(35-31(26-16-6-1-7-17-26)27-18-8-2-9-19-27)33(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25,31H
InChIKeyQSIHOSLDGZIVGZ-UHFFFAOYSA-N
XLogP7.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate
CID 22605235
1-O-benzhydryl 3-O-tert-butyl (2R)-2-benzyl-2-phenylpropanedioate
CID 53242601
dibenzhydryl 2-(2-amino-1-hydroxy-2-oxoethyl)-2-(1-hydroxy-2,2,2-triphenylethyl)propanedioate
CID 139655275
benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
CID 3480592
benzhydryl 2,2-dihydroxyacetate
CID 11076121
dibenzhydryl (E)-but-2-enedioate
CID 19073748
tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
CID 174664507
benzhydryl 2,2-dichloroacetate
CID 102144827
benzhydryl acetate;hydrazine
CID 122610283
benzhydryl 4-(trifluoromethyl)benzoate
CID 132819939
3-benzhydryloxy-3-oxo-2-phenylpropanoic acid
CID 12907537
benzhydryl 2-hydroxybut-2-enoate
CID 154093504

Frequently Asked Questions

What is the IUPAC name of benzhydryl 2,2,2-triphenylacetate?
The IUPAC name of benzhydryl 2,2,2-triphenylacetate (CID 126186590) is benzhydryl 2,2,2-triphenylacetate.
What is the SMILES notation for benzhydryl 2,2,2-triphenylacetate?
The canonical SMILES for benzhydryl 2,2,2-triphenylacetate is O=C(OC(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl 2,2,2-triphenylacetate?
The InChIKey is QSIHOSLDGZIVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26O2/c34-32(35-31(26-16-6-1-7-17-26)27-18-8-2-9-19-27)33(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h1-25,31H.
What are the key properties of benzhydryl 2,2,2-triphenylacetate?
benzhydryl 2,2,2-triphenylacetate has a molecular weight of 454.57 g/mol, XLogP of 7.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 2,2,2-triphenylacetate is sourced from PubChem (CID 126186590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).