CID 58283023

C15H15O4 — CID 58283023

IUPAC—
SMILES[CH]=C/C(=C(\CC(=O)O)C(=O)OC)c1cccc(C)c1
InChIInChI=1S/C15H15O4/c1-4-12(11-7-5-6-10(2)8-11)13(9-14(16)17)15(18)19-3/h1,4-8H,9H2,2-3H3,(H,16,17)/b4-1?,13-12-
InChIKeyWDTJYKZGWIEBDA-VJOGVHMASA-N
MW259.28 g/mol
LogP2.39
Rot. Bonds5

About CID 58283023

CID 58283023 (PubChem CID 58283023) has the molecular formula C15H15O4 and a molecular weight of 259.28 g/mol.

Molecular Properties

Compound NameCID 58283023
PubChem CID58283023
Molecular FormulaC15H15O4
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name—
SMILES[CH]=C/C(=C(\CC(=O)O)C(=O)OC)c1cccc(C)c1
InChIInChI=1S/C15H15O4/c1-4-12(11-7-5-6-10(2)8-11)13(9-14(16)17)15(18)19-3/h1,4-8H,9H2,2-3H3,(H,16,17)/b4-1?,13-12-
InChIKeyWDTJYKZGWIEBDA-VJOGVHMASA-N
XLogP2.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3-methylbenzoyl)amino]prop-2-enoate
CID 123522259
3-methylbenzoic acid
CID 7418
4-(3-methylphenyl)-4-oxobutanoic acid
CID 2760002
3-methylbenzenecarboselenoic Se-acid
CID 166513879
bis(3-methylphenyl)methanone
CID 17848
(E)-3-methoxycarbonyl-4,5-diphenylhex-3-enoic acid
CID 15283170
3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid
CID 3369154
3-ethoxycarbonyl-4-(3-methoxyphenyl)pent-3-enoic acid
CID 3577559
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
methyl 6-(3-methylphenyl)-6-oxohexanoate
CID 146007506
2-bromo-3-methoxy-1-(3-methylphenyl)propan-1-one
CID 161097677
(3-methylbenzoyl)azanium
CID 153183849

Frequently Asked Questions

What is the IUPAC name of CID 58283023?
The IUPAC name of CID 58283023 (CID 58283023) is not available.
What is the SMILES notation for CID 58283023?
The canonical SMILES for CID 58283023 is [CH]=C/C(=C(\CC(=O)O)C(=O)OC)c1cccc(C)c1.
What is the InChIKey of CID 58283023?
The InChIKey is WDTJYKZGWIEBDA-VJOGVHMASA-N. The full InChI is InChI=1S/C15H15O4/c1-4-12(11-7-5-6-10(2)8-11)13(9-14(16)17)15(18)19-3/h1,4-8H,9H2,2-3H3,(H,16,17)/b4-1?,13-12-.
What are the key properties of CID 58283023?
CID 58283023 has a molecular weight of 259.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58283023 is sourced from PubChem (CID 58283023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).