(4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate

C21H15ClO4 — CID 154423526

IUPAC(4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate
SMILESO=C(Cl)c1ccc(OC(=O)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H15ClO4/c22-19(23)15-11-13-18(14-12-15)26-20(24)21(25,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,25H
InChIKeyYTUSJNXINDNZQD-UHFFFAOYSA-N
MW366.80 g/mol
LogP3.91
Rot. Bonds5

About (4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate

(4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate (PubChem CID 154423526) has the molecular formula C21H15ClO4 and a molecular weight of 366.80 g/mol. Its IUPAC name is (4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name(4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate
PubChem CID154423526
Molecular FormulaC21H15ClO4
Molecular Weight366.80 g/mol
Exact Mass366.07
IUPAC Name(4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate
SMILESO=C(Cl)c1ccc(OC(=O)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H15ClO4/c22-19(23)15-11-13-18(14-12-15)26-20(24)21(25,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,25H
InChIKeyYTUSJNXINDNZQD-UHFFFAOYSA-N
XLogP3.91
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

chloro 2-hydroxy-2,2-diphenylacetate
CID 67237911
phenyl 2-chloro-3-hydroxy-2-methyl-3-phenylbutanoate
CID 10638257
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
(4-carbonochloridoylphenyl) acetate
CID 2756254
4-(4-phenylphenoxy)benzoyl chloride
CID 23319474
(4-benzoylphenyl) 2-bromo-2-methylpropanoate
CID 59741508
4-(2,2,2-trichloroacetyl)oxybenzoic acid
CID 89263837
benzoic acid;benzoyl chloride
CID 87427055
phenyl (2R)-2-amino-2-phenylpropanoate
CID 142678159
benzoyl chloride;selane
CID 174449470
phenyl 2-amino-2,2-diphenylacetate
CID 142678162
benzene-1,3-dicarbonyl chloride;benzene-1,4-dicarbonyl chloride;carbonyl dichloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol
CID 170852102

Frequently Asked Questions

What is the IUPAC name of (4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of (4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate (CID 154423526) is (4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for (4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for (4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate is O=C(Cl)c1ccc(OC(=O)C(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate?
The InChIKey is YTUSJNXINDNZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClO4/c22-19(23)15-11-13-18(14-12-15)26-20(24)21(25,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,25H.
What are the key properties of (4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate?
(4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate has a molecular weight of 366.80 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbonochloridoylphenyl) 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 154423526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).