chlorosyl 2-phenylacetate

C8H7ClO3 — CID 142625224

IUPACchlorosyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)O[Cl+][O-]
InChIInChI=1S/C8H7ClO3/c10-8(12-9-11)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyTYSKAFRBPORIRG-UHFFFAOYSA-N
MW186.59 g/mol
LogP0.05
Rot. Bonds3

About chlorosyl 2-phenylacetate

chlorosyl 2-phenylacetate (PubChem CID 142625224) has the molecular formula C8H7ClO3 and a molecular weight of 186.59 g/mol. Its IUPAC name is chlorosyl 2-phenylacetate.

Molecular Properties

Compound Namechlorosyl 2-phenylacetate
PubChem CID142625224
Molecular FormulaC8H7ClO3
Molecular Weight186.59 g/mol
Exact Mass186.01
IUPAC Namechlorosyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)O[Cl+][O-]
InChIInChI=1S/C8H7ClO3/c10-8(12-9-11)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyTYSKAFRBPORIRG-UHFFFAOYSA-N
XLogP0.05
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.59
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
CID 174393592
CID 174393592
CID 172801156
CID 172801156
phenyl 2-phenylacetate;zinc
CID 70522084
ethyl 2-phenylacetate
CID 7590
(2-phenylacetyl) propanoate
CID 91029268
lithium 2-phenylacetate
CID 19205773
hydroxy-dioxido-(2-phenylacetyl)phosphanium
CID 136773120
methylsilyl 2-phenylacetate
CID 148919799
ethyl 2-phenylacetate;hydrate
CID 141257001
4-(2-phenylacetyl)oxybut-2-enyl 2-phenylacetate
CID 139775168
barium(2+);hydride;phenyl 2-phenylacetate
CID 174636717

Frequently Asked Questions

What is the IUPAC name of chlorosyl 2-phenylacetate?
The IUPAC name of chlorosyl 2-phenylacetate (CID 142625224) is chlorosyl 2-phenylacetate.
What is the SMILES notation for chlorosyl 2-phenylacetate?
The canonical SMILES for chlorosyl 2-phenylacetate is O=C(Cc1ccccc1)O[Cl+][O-].
What is the InChIKey of chlorosyl 2-phenylacetate?
The InChIKey is TYSKAFRBPORIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3/c10-8(12-9-11)6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of chlorosyl 2-phenylacetate?
chlorosyl 2-phenylacetate has a molecular weight of 186.59 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosyl 2-phenylacetate is sourced from PubChem (CID 142625224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).