CID 59775690

C14H16O4 — CID 59775690

IUPAC—
SMILES[CH]/C(C)=C/CC1=C(C)C(=O)C(OC)=C(CO)C1=O
InChIInChI=1S/C14H16O4/c1-8(2)5-6-10-9(3)12(16)14(18-4)11(7-15)13(10)17/h1,5,15H,6-7H2,2-4H3/b8-5-
InChIKeyYHNHRBZKSGXWHX-YVMONPNESA-N
MW248.28 g/mol
LogP1.39
Rot. Bonds4

About CID 59775690

CID 59775690 (PubChem CID 59775690) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol.

Molecular Properties

Compound NameCID 59775690
PubChem CID59775690
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name—
SMILES[CH]/C(C)=C/CC1=C(C)C(=O)C(OC)=C(CO)C1=O
InChIInChI=1S/C14H16O4/c1-8(2)5-6-10-9(3)12(16)14(18-4)11(7-15)13(10)17/h1,5,15H,6-7H2,2-4H3/b8-5-
InChIKeyYHNHRBZKSGXWHX-YVMONPNESA-N
XLogP1.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59775690?
The IUPAC name of CID 59775690 (CID 59775690) is not available.
What is the SMILES notation for CID 59775690?
The canonical SMILES for CID 59775690 is [CH]/C(C)=C/CC1=C(C)C(=O)C(OC)=C(CO)C1=O.
What is the InChIKey of CID 59775690?
The InChIKey is YHNHRBZKSGXWHX-YVMONPNESA-N. The full InChI is InChI=1S/C14H16O4/c1-8(2)5-6-10-9(3)12(16)14(18-4)11(7-15)13(10)17/h1,5,15H,6-7H2,2-4H3/b8-5-.
What are the key properties of CID 59775690?
CID 59775690 has a molecular weight of 248.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59775690 is sourced from PubChem (CID 59775690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).