CID 157442056

C15H15NO6 — CID 157442056

IUPAC—
SMILESNOO.O=C(O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H12O4.H3NO2/c16-14(17)10-19-13-8-6-12(7-9-13)15(18)11-4-2-1-3-5-11;1-3-2/h1-9H,10H2,(H,16,17);2H,1H2
InChIKeyBRUABPPLNNQANS-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.73
Rot. Bonds5

About CID 157442056

CID 157442056 (PubChem CID 157442056) has the molecular formula C15H15NO6 and a molecular weight of 305.29 g/mol.

Molecular Properties

Compound NameCID 157442056
PubChem CID157442056
Molecular FormulaC15H15NO6
Molecular Weight305.29 g/mol
Exact Mass305.09
IUPAC Name—
SMILESNOO.O=C(O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H12O4.H3NO2/c16-14(17)10-19-13-8-6-12(7-9-13)15(18)11-4-2-1-3-5-11;1-3-2/h1-9H,10H2,(H,16,17);2H,1H2
InChIKeyBRUABPPLNNQANS-UHFFFAOYSA-N
XLogP1.73
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
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5-amino-1-(4-benzoylphenoxy)pentan-2-one
CID 58115304
ethenyl 2-(4-benzoylphenoxy)acetate
CID 154092320
cyanomethyl 2-(4-benzoylphenoxy)acetate
CID 2596653
2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 75435846
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-[4-(2-aminoacetyl)phenoxy]acetic acid
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2-[4-(furan-2-carbonyl)phenoxy]acetic acid
CID 82086021
1-(4-benzoylphenoxy)-3-(propan-2-ylamino)propan-2-one
CID 20507347

Frequently Asked Questions

What is the IUPAC name of CID 157442056?
The IUPAC name of CID 157442056 (CID 157442056) is not available.
What is the SMILES notation for CID 157442056?
The canonical SMILES for CID 157442056 is NOO.O=C(O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of CID 157442056?
The InChIKey is BRUABPPLNNQANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4.H3NO2/c16-14(17)10-19-13-8-6-12(7-9-13)15(18)11-4-2-1-3-5-11;1-3-2/h1-9H,10H2,(H,16,17);2H,1H2.
What are the key properties of CID 157442056?
CID 157442056 has a molecular weight of 305.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157442056 is sourced from PubChem (CID 157442056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).