CID 71497959

C16H13O3 — CID 71497959

IUPAC—
SMILESCOC(=O)/C=C/c1ccccc1C(=O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C16H13O3/c1-19-15(17)11-10-12-6-4-5-9-14(12)16(18)13-7-2-3-8-13/h2-11H,1H3/b11-10+
InChIKeyJLKAPHKDIXCLSP-ZHACJKMWSA-N
MW253.28 g/mol
LogP2.46
Rot. Bonds4

About CID 71497959

CID 71497959 (PubChem CID 71497959) has the molecular formula C16H13O3 and a molecular weight of 253.28 g/mol.

Molecular Properties

Compound NameCID 71497959
PubChem CID71497959
Molecular FormulaC16H13O3
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name—
SMILESCOC(=O)/C=C/c1ccccc1C(=O)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C16H13O3/c1-19-15(17)11-10-12-6-4-5-9-14(12)16(18)13-7-2-3-8-13/h2-11H,1H3/b11-10+
InChIKeyJLKAPHKDIXCLSP-ZHACJKMWSA-N
XLogP2.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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2-fluoro-3-(3-methoxy-3-oxoprop-1-enyl)benzoic acid
CID 169479163
methyl (E)-3-[2-(chloromethyl)phenyl]prop-2-enoate
CID 119094981
methyl (E)-3-(2-benzoyl-4-methoxyphenyl)prop-2-enoate
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methyl 3-[2-(carbamothioylamino)phenyl]prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of CID 71497959?
The IUPAC name of CID 71497959 (CID 71497959) is not available.
What is the SMILES notation for CID 71497959?
The canonical SMILES for CID 71497959 is COC(=O)/C=C/c1ccccc1C(=O)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 71497959?
The InChIKey is JLKAPHKDIXCLSP-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H13O3/c1-19-15(17)11-10-12-6-4-5-9-14(12)16(18)13-7-2-3-8-13/h2-11H,1H3/b11-10+.
What are the key properties of CID 71497959?
CID 71497959 has a molecular weight of 253.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71497959 is sourced from PubChem (CID 71497959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).