methyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate

C16H14O5 — CID 106946569

IUPACmethyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)C2COc3ccccc3C2)o1
InChIInChI=1S/C16H14O5/c1-19-16(18)14-7-6-13(21-14)15(17)11-8-10-4-2-3-5-12(10)20-9-11/h2-7,11H,8-9H2,1H3
InChIKeyOJSBRGOCXOYZJH-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.50
Rot. Bonds3

About methyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate

methyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate (PubChem CID 106946569) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is methyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate
PubChem CID106946569
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Namemethyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)C2COc3ccccc3C2)o1
InChIInChI=1S/C16H14O5/c1-19-16(18)14-7-6-13(21-14)15(17)11-8-10-4-2-3-5-12(10)20-9-11/h2-7,11H,8-9H2,1H3
InChIKeyOJSBRGOCXOYZJH-UHFFFAOYSA-N
XLogP2.50
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone
CID 106651928
3,4-dihydro-2H-chromen-3-yl-(2-fluoro-3-methoxyphenyl)methanone
CID 82791721
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
3,4-dihydro-2H-chromen-3-yl-(3-methylthiophen-2-yl)methanone
CID 79991091
(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97072881
3,4-dihydro-2H-chromen-3-yl-(2,4-dimethylphenyl)methanone
CID 65406634
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanone
CID 65409325
(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713220

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate (CID 106946569) is methyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate is COC(=O)c1ccc(C(=O)C2COc3ccccc3C2)o1.
What is the InChIKey of methyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate?
The InChIKey is OJSBRGOCXOYZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-19-16(18)14-7-6-13(21-14)15(17)11-8-10-4-2-3-5-12(10)20-9-11/h2-7,11H,8-9H2,1H3.
What are the key properties of methyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate?
methyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate has a molecular weight of 286.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate is sourced from PubChem (CID 106946569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).