CID 58703870

C20H20O4 — CID 58703870

IUPAC—
SMILES[CH]C(=C)OC(=O)CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H20O4/c1-14(2)24-19(23)12-13-20(3,15-4-8-17(21)9-5-15)16-6-10-18(22)11-7-16/h1,4-11,21-22H,2,12-13H2,3H3
InChIKeyAFUUDUOSSNCFJO-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.95
Rot. Bonds6

About CID 58703870

CID 58703870 (PubChem CID 58703870) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol.

Molecular Properties

Compound NameCID 58703870
PubChem CID58703870
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name—
SMILES[CH]C(=C)OC(=O)CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H20O4/c1-14(2)24-19(23)12-13-20(3,15-4-8-17(21)9-5-15)16-6-10-18(22)11-7-16/h1,4-11,21-22H,2,12-13H2,3H3
InChIKeyAFUUDUOSSNCFJO-UHFFFAOYSA-N
XLogP3.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58703870?
The IUPAC name of CID 58703870 (CID 58703870) is not available.
What is the SMILES notation for CID 58703870?
The canonical SMILES for CID 58703870 is [CH]C(=C)OC(=O)CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of CID 58703870?
The InChIKey is AFUUDUOSSNCFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-14(2)24-19(23)12-13-20(3,15-4-8-17(21)9-5-15)16-6-10-18(22)11-7-16/h1,4-11,21-22H,2,12-13H2,3H3.
What are the key properties of CID 58703870?
CID 58703870 has a molecular weight of 324.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58703870 is sourced from PubChem (CID 58703870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).