1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one

C12H10O3 — CID 131844443

IUPAC1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one
SMILESCC1=C2C(=O)c3ccccc3OC2CO1
InChIInChI=1S/C12H10O3/c1-7-11-10(6-14-7)15-9-5-3-2-4-8(9)12(11)13/h2-5,10H,6H2,1H3
InChIKeyLMYDFJCUWZRGSM-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.93
Rot. Bonds

About 1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one

1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one (PubChem CID 131844443) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one.

Molecular Properties

Compound Name1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one
PubChem CID131844443
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one
SMILESCC1=C2C(=O)c3ccccc3OC2CO1
InChIInChI=1S/C12H10O3/c1-7-11-10(6-14-7)15-9-5-3-2-4-8(9)12(11)13/h2-5,10H,6H2,1H3
InChIKeyLMYDFJCUWZRGSM-UHFFFAOYSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
3-methyl-2,3-dihydro-1,4-benzodioxepin-5-one
CID 135057032
3,3-dimethoxy-4,4a-dihydropyrano[4,3-b]chromen-10-one
CID 10934262
(2R)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 95987150
2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one
CID 91411003
(2S)-2-phenyl-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 95987149
2-(2,5-dimethylthiophen-3-yl)-2,3-dihydrochromen-4-one
CID 114671481
ethane;2-methyl-2,3-dihydrochromen-4-one
CID 142100013
[4-(4-oxo-2,3-dihydrochromen-2-yl)phenyl] thiohypochlorite
CID 21276850
(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one
CID 70503591
1,1-dideuterio-1a,7a-dihydrocyclopropa[b]chromen-7-one
CID 101320242

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one?
The IUPAC name of 1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one (CID 131844443) is 1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one.
What is the SMILES notation for 1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one?
The canonical SMILES for 1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one is CC1=C2C(=O)c3ccccc3OC2CO1.
What is the InChIKey of 1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one?
The InChIKey is LMYDFJCUWZRGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-7-11-10(6-14-7)15-9-5-3-2-4-8(9)12(11)13/h2-5,10H,6H2,1H3.
What are the key properties of 1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one?
1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one has a molecular weight of 202.21 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,3a-dihydrofuro[3,4-b]chromen-9-one is sourced from PubChem (CID 131844443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).