5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one

C24H24O4 — CID 172877104

IUPAC5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one
SMILESCOc1ccc(-c2cc3oc(=O)cc(C(C)C)c3c3c2C=CC(C)(C)O3)cc1
InChIInChI=1S/C24H24O4/c1-14(2)18-13-21(25)27-20-12-19(15-6-8-16(26-5)9-7-15)17-10-11-24(3,4)28-23(17)22(18)20/h6-14H,1-5H3
InChIKeyKLZORYNMLMRCOO-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.78
Rot. Bonds3

About 5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one

5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one (PubChem CID 172877104) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one
PubChem CID172877104
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one
SMILESCOc1ccc(-c2cc3oc(=O)cc(C(C)C)c3c3c2C=CC(C)(C)O3)cc1
InChIInChI=1S/C24H24O4/c1-14(2)18-13-21(25)27-20-12-19(15-6-8-16(26-5)9-7-15)17-10-11-24(3,4)28-23(17)22(18)20/h6-14H,1-5H3
InChIKeyKLZORYNMLMRCOO-UHFFFAOYSA-N
XLogP5.78
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.78
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

7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one
CID 11087308
7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
CID 163039126
(16S,17S)-10,10,16,17-tetramethyl-6-propan-2-yl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione
CID 511352
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997
8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one
CID 10825913
3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
CID 102440104
7-[(E)-2-(4-methoxyphenyl)ethenyl]-4-propan-2-ylchromen-2-one
CID 178110195
10,10,16-trimethyl-6-(4-nitrophenyl)-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7,11,13,16-hexaene-4,18-dione
CID 90744160
(16R,17S,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propan-2-yl-3,9-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7,11,13-pentaen-4-one
CID 511351
5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-6-propanoyl-10-propylpyrano[2,3-f]chromen-8-one
CID 90677250
4-methoxy-6-(4-methoxyphenyl)pyran-2-one
CID 13237931
(9-methoxy-2,2-dimethylpyrano[3,2-c]quinolin-5-yl) acetate
CID 23271804

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one?
The IUPAC name of 5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one (CID 172877104) is 5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one?
The canonical SMILES for 5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one is COc1ccc(-c2cc3oc(=O)cc(C(C)C)c3c3c2C=CC(C)(C)O3)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one?
The InChIKey is KLZORYNMLMRCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-14(2)18-13-21(25)27-20-12-19(15-6-8-16(26-5)9-7-15)17-10-11-24(3,4)28-23(17)22(18)20/h6-14H,1-5H3.
What are the key properties of 5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one?
5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one has a molecular weight of 376.45 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one is sourced from PubChem (CID 172877104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).