4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione

C34H28O6 — CID 110207822

IUPAC4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
SMILESCOc1ccc(CCOc2ccccc2C2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)cc1
InChIInChI=1S/C34H28O6/c1-21-18-29-33(26(19-30(35)39-29)23-8-4-3-5-9-23)34-32(21)27(20-31(36)40-34)25-10-6-7-11-28(25)38-17-16-22-12-14-24(37-2)15-13-22/h3-15,18-19,27H,16-17,20H2,1-2H3
InChIKeyFDIKIJKIBWSESC-UHFFFAOYSA-N
MW532.59 g/mol
LogP6.84
Rot. Bonds7

About 4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione

4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione (PubChem CID 110207822) has the molecular formula C34H28O6 and a molecular weight of 532.59 g/mol. Its IUPAC name is 4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione.

Molecular Properties

Compound Name4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
PubChem CID110207822
Molecular FormulaC34H28O6
Molecular Weight532.59 g/mol
Exact Mass532.19
IUPAC Name4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
SMILESCOc1ccc(CCOc2ccccc2C2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)cc1
InChIInChI=1S/C34H28O6/c1-21-18-29-33(26(19-30(35)39-29)23-8-4-3-5-9-23)34-32(21)27(20-31(36)40-34)25-10-6-7-11-28(25)38-17-16-22-12-14-24(37-2)15-13-22/h3-15,18-19,27H,16-17,20H2,1-2H3
InChIKeyFDIKIJKIBWSESC-UHFFFAOYSA-N
XLogP6.84
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.59
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 124875933
4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 110206029
(10R)-5,6-dihydroxy-10-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 98885051
4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 110206581
(4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 124879339
4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 110206398
(6S)-6-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-8-methyl-3,11-dioxatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),8,13(17)-tetraene-4,12-dione
CID 125123083
(4S)-4-(1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 124876785
2-benzylidene-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162945458
(10S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99984111
(2Z,9S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122742
(2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122631

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
The IUPAC name of 4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione (CID 110207822) is 4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione.
What is the SMILES notation for 4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
The canonical SMILES for 4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione is COc1ccc(CCOc2ccccc2C2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)cc1.
What is the InChIKey of 4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
The InChIKey is FDIKIJKIBWSESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28O6/c1-21-18-29-33(26(19-30(35)39-29)23-8-4-3-5-9-23)34-32(21)27(20-31(36)40-34)25-10-6-7-11-28(25)38-17-16-22-12-14-24(37-2)15-13-22/h3-15,18-19,27H,16-17,20H2,1-2H3.
What are the key properties of 4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione has a molecular weight of 532.59 g/mol, XLogP of 6.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione is sourced from PubChem (CID 110207822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).