3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate

C14H12O4 — CID 119045683

IUPAC3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate
SMILESO=C(OC1CCOc2ccccc21)c1ccoc1
InChIInChI=1S/C14H12O4/c15-14(10-5-7-16-9-10)18-13-6-8-17-12-4-2-1-3-11(12)13/h1-5,7,9,13H,6,8H2
InChIKeyOFXQNCWLVSKZRF-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.96
Rot. Bonds2

About 3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate

3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate (PubChem CID 119045683) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate
PubChem CID119045683
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate
SMILESO=C(OC1CCOc2ccccc21)c1ccoc1
InChIInChI=1S/C14H12O4/c15-14(10-5-7-16-9-10)18-13-6-8-17-12-4-2-1-3-11(12)13/h1-5,7,9,13H,6,8H2
InChIKeyOFXQNCWLVSKZRF-UHFFFAOYSA-N
XLogP2.96
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromen-4-yl 2,2-dimethylbutanoate
CID 58031028
3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate
CID 170048859
[(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate
CID 99827704
[(4R)-3,4-dihydro-2H-chromen-4-yl] N-(4-methylphenyl)sulfonylcarbamate
CID 7102005
(3-methylcyclobutyl) furan-3-carboxylate
CID 130683637
4-(3,4-dihydro-2H-chromen-4-ylmethoxy)benzoic acid
CID 104768077
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylbutanoic acid
CID 113451184
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one
CID 104769789
[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate
CID 102427933
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
(4S)-4-iodo-3,4-dihydro-2H-chromene
CID 146562180

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate (CID 119045683) is 3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate is O=C(OC1CCOc2ccccc21)c1ccoc1.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate?
The InChIKey is OFXQNCWLVSKZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-14(10-5-7-16-9-10)18-13-6-8-17-12-4-2-1-3-11(12)13/h1-5,7,9,13H,6,8H2.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate?
3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate has a molecular weight of 244.25 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-4-yl furan-3-carboxylate is sourced from PubChem (CID 119045683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).