3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one

C13H14O3 — CID 10656436

IUPAC3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
SMILESCc1cc2c(c(=O)o1)C=C1CCCCC1O2
InChIInChI=1S/C13H14O3/c1-8-6-12-10(13(14)15-8)7-9-4-2-3-5-11(9)16-12/h6-7,11H,2-5H2,1H3
InChIKeyOOEUMXVXNXRROJ-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.67
Rot. Bonds

About 3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one

3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one (PubChem CID 10656436) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one.

Molecular Properties

Compound Name3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
PubChem CID10656436
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
SMILESCc1cc2c(c(=O)o1)C=C1CCCCC1O2
InChIInChI=1S/C13H14O3/c1-8-6-12-10(13(14)15-8)7-9-4-2-3-5-11(9)16-12/h6-7,11H,2-5H2,1H3
InChIKeyOOEUMXVXNXRROJ-UHFFFAOYSA-N
XLogP2.67
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phomopsinone A
CID 101578423
3,7-Dimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),9-tetraen-11-one
CID 44557219
Pyrenocine J
CID 76312966
7-methyl-2-octyl-2H-pyrano[4,3-b]pyran-5-one
CID 44431107
3,5a-Dimethyl-6,7,8,9-tetrahydropyrano[4,3-b]chromen-1-one
CID 44431109
2,3,7-trimethyl-2H-pyrano[3,2-c]pyran-5-one
CID 44431110
12-Methyl-2,11-dioxatricyclo[7.4.0.03,7]trideca-1(9),7,12-trien-10-one
CID 44431111
2-ethyl-7-methyl-2H-pyrano[4,3-b]pyran-5-one
CID 44431112
Childinin G
CID 139590856
4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
CID 163064927
(7R)-3,7-dimethyl-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),9-tetraen-11-one
CID 163090523
3-Propyl-5,6-dihydro-1h-isochromen-1-one
CID 10910328

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one?
The IUPAC name of 3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one (CID 10656436) is 3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one.
What is the SMILES notation for 3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one?
The canonical SMILES for 3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one is Cc1cc2c(c(=O)o1)C=C1CCCCC1O2.
What is the InChIKey of 3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one?
The InChIKey is OOEUMXVXNXRROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-8-6-12-10(13(14)15-8)7-9-4-2-3-5-11(9)16-12/h6-7,11H,2-5H2,1H3.
What are the key properties of 3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one?
3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one has a molecular weight of 218.25 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one is sourced from PubChem (CID 10656436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).