(2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione

C21H18O4 — CID 13220457

IUPAC(2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione
SMILESCO[C@@]1(C)C[C@@H](c2ccccc2)C2=C(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C21H18O4/c1-21(24-2)12-16(13-8-4-3-5-9-13)17-18(22)14-10-6-7-11-15(14)19(23)20(17)25-21/h3-11,16H,12H2,1-2H3/t16-,21+/m0/s1
InChIKeyHQRHGEQSNPLNIS-HRAATJIYSA-N
MW334.37 g/mol
LogP3.89
Rot. Bonds2

About (2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione

(2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione (PubChem CID 13220457) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is (2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione.

Molecular Properties

Compound Name(2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione
PubChem CID13220457
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name(2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione
SMILESCO[C@@]1(C)C[C@@H](c2ccccc2)C2=C(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C21H18O4/c1-21(24-2)12-16(13-8-4-3-5-9-13)17-18(22)14-10-6-7-11-15(14)19(23)20(17)25-21/h3-11,16H,12H2,1-2H3/t16-,21+/m0/s1
InChIKeyHQRHGEQSNPLNIS-HRAATJIYSA-N
XLogP3.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
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 (2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione?
The IUPAC name of (2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione (CID 13220457) is (2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione.
What is the SMILES notation for (2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione?
The canonical SMILES for (2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione is CO[C@@]1(C)C[C@@H](c2ccccc2)C2=C(O1)C(=O)c1ccccc1C2=O.
What is the InChIKey of (2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione?
The InChIKey is HQRHGEQSNPLNIS-HRAATJIYSA-N. The full InChI is InChI=1S/C21H18O4/c1-21(24-2)12-16(13-8-4-3-5-9-13)17-18(22)14-10-6-7-11-15(14)19(23)20(17)25-21/h3-11,16H,12H2,1-2H3/t16-,21+/m0/s1.
What are the key properties of (2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione?
(2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione has a molecular weight of 334.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydrobenzo[g]chromene-5,10-dione is sourced from PubChem (CID 13220457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).