7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione

C21H18O4 — CID 102552242

IUPAC7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
SMILESCc1cc(C)c2c3c(c(=O)oc2c1C)C(c1ccccc1)CC(=O)O3
InChIInChI=1S/C21H18O4/c1-11-9-12(2)17-19(13(11)3)25-21(23)18-15(10-16(22)24-20(17)18)14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3
InChIKeyVYROLMIHXWVQHZ-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.16
Rot. Bonds1

About 7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione

7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione (PubChem CID 102552242) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is 7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione.

Molecular Properties

Compound Name7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
PubChem CID102552242
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
SMILESCc1cc(C)c2c3c(c(=O)oc2c1C)C(c1ccccc1)CC(=O)O3
InChIInChI=1S/C21H18O4/c1-11-9-12(2)17-19(13(11)3)25-21(23)18-15(10-16(22)24-20(17)18)14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3
InChIKeyVYROLMIHXWVQHZ-UHFFFAOYSA-N
XLogP4.16
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 102288918
(4R)-8-methyl-4-phenyl-3,4-dihydrochromen-2-one
CID 804457
(4R)-5,6,7,8-tetramethyl-4-(3,4,5-trimethylphenyl)-3,4-dihydrochromen-2-one
CID 170409783
(4S)-5,6,7,8-tetramethyl-4-(3,4,5-trimethylphenyl)-3,4-dihydrochromen-2-one
CID 170409781
(4S)-4-(4-nitrophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
CID 7348630
4,6,7-trimethyl-3-phenyl-3H-1-benzofuran-2-one
CID 68705187
4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 110206029
(4S)-4-(1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 124876785
4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 110206581
5,6-dihydroxy-10-(4-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827157
4-(3-chloro-4-hydroxyphenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
CID 91638083
(9R)-9-phenyl-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991709

Frequently Asked Questions

What is the IUPAC name of 7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
The IUPAC name of 7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione (CID 102552242) is 7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione.
What is the SMILES notation for 7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
The canonical SMILES for 7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione is Cc1cc(C)c2c3c(c(=O)oc2c1C)C(c1ccccc1)CC(=O)O3.
What is the InChIKey of 7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
The InChIKey is VYROLMIHXWVQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c1-11-9-12(2)17-19(13(11)3)25-21(23)18-15(10-16(22)24-20(17)18)14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3.
What are the key properties of 7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione has a molecular weight of 334.37 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,10-trimethyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromene-2,5-dione is sourced from PubChem (CID 102552242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).