4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one

C20H16O4 — CID 100988378

IUPAC4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one
SMILESCc1cc(=O)oc2c3c(ccc12)CC1Oc2ccccc2OC1C3
InChIInChI=1S/C20H16O4/c1-11-8-19(21)24-20-13(11)7-6-12-9-17-18(10-14(12)20)23-16-5-3-2-4-15(16)22-17/h2-8,17-18H,9-10H2,1H3
InChIKeyYZRBDXUPEAHTGE-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.41
Rot. Bonds

About 4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one

4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one (PubChem CID 100988378) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one.

Molecular Properties

Compound Name4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one
PubChem CID100988378
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one
SMILESCc1cc(=O)oc2c3c(ccc12)CC1Oc2ccccc2OC1C3
InChIInChI=1S/C20H16O4/c1-11-8-19(21)24-20-13(11)7-6-12-9-17-18(10-14(12)20)23-16-5-3-2-4-15(16)22-17/h2-8,17-18H,9-10H2,1H3
InChIKeyYZRBDXUPEAHTGE-UHFFFAOYSA-N
XLogP3.41
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.41
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

(8R)-4-methyl-8-[(E)-2-phenylethenyl]-8,9-dihydrofuro[2,3-h]chromen-2-one
CID 11044919
13-(2-bromo-4-methylphenyl)-6-methyl-3-oxa-13-azatetracyclo[8.5.0.02,7.012,14]pentadeca-1(10),2(7),5,8-tetraen-4-one
CID 15469331
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865
(7aS,11aS)-4-methyl-7a,10,11,11a-tetrahydro-[1]benzofuro[2,3-h]chromen-2-one
CID 101332782
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
4-methoxy-7-methyl-2,3-diphenyl-2,3-dihydropyrano[3,2-h][1,4]benzoxazin-9-one
CID 10620941
(10R)-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97046015
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
4-methyl-8-phenoxychromen-2-one
CID 86228952
9-[(2-fluorophenyl)methyl]-4-methyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one
CID 7707495
2,6-dimethyl-2-phenyl-[1,3]dioxolo[4,5-h]chromen-8-one
CID 11087672

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one?
The IUPAC name of 4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one (CID 100988378) is 4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one.
What is the SMILES notation for 4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one?
The canonical SMILES for 4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one is Cc1cc(=O)oc2c3c(ccc12)CC1Oc2ccccc2OC1C3.
What is the InChIKey of 4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one?
The InChIKey is YZRBDXUPEAHTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-11-8-19(21)24-20-13(11)7-6-12-9-17-18(10-14(12)20)23-16-5-3-2-4-15(16)22-17/h2-8,17-18H,9-10H2,1H3.
What are the key properties of 4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one?
4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one has a molecular weight of 320.34 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7,7a,13a,14-tetrahydrochromeno[8,7-b]oxanthren-2-one is sourced from PubChem (CID 100988378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).