3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione

C18H20O4 — CID 72673458

IUPAC3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
SMILESCCCC1C2=C(OC(O)C1CC)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H20O4/c1-3-7-11-10(4-2)18(21)22-17-14(11)15(19)12-8-5-6-9-13(12)16(17)20/h5-6,8-11,18,21H,3-4,7H2,1-2H3
InChIKeyQSNRFWXVEHVBIQ-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.11
Rot. Bonds3

About 3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione

3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione (PubChem CID 72673458) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
PubChem CID72673458
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione
SMILESCCCC1C2=C(OC(O)C1CC)C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H20O4/c1-3-7-11-10(4-2)18(21)22-17-14(11)15(19)12-8-5-6-9-13(12)16(17)20/h5-6,8-11,18,21H,3-4,7H2,1-2H3
InChIKeyQSNRFWXVEHVBIQ-UHFFFAOYSA-N
XLogP3.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
The IUPAC name of 3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione (CID 72673458) is 3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione.
What is the SMILES notation for 3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
The canonical SMILES for 3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione is CCCC1C2=C(OC(O)C1CC)C(=O)c1ccccc1C2=O.
What is the InChIKey of 3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
The InChIKey is QSNRFWXVEHVBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-7-11-10(4-2)18(21)22-17-14(11)15(19)12-8-5-6-9-13(12)16(17)20/h5-6,8-11,18,21H,3-4,7H2,1-2H3.
What are the key properties of 3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione?
3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione has a molecular weight of 300.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-4-propyl-3,4-dihydro-2H-benzo[g]chromene-5,10-dione is sourced from PubChem (CID 72673458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).