methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate

C15H20O3 — CID 22944033

IUPACmethyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(C)(C)CC(C)(C)O2
InChIInChI=1S/C15H20O3/c1-14(2)9-15(3,4)18-12-7-6-10(8-11(12)14)13(16)17-5/h6-8H,9H2,1-5H3
InChIKeyDBOPLBNBHWLKNJ-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.31
Rot. Bonds1

About methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate

methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate (PubChem CID 22944033) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate
PubChem CID22944033
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(C)(C)CC(C)(C)O2
InChIInChI=1S/C15H20O3/c1-14(2)9-15(3,4)18-12-7-6-10(8-11(12)14)13(16)17-5/h6-8H,9H2,1-5H3
InChIKeyDBOPLBNBHWLKNJ-UHFFFAOYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3,3-dimethyl-2H-1-benzofuran-5-carboxylate
CID 118098434
methyl 2,2-dimethyl-3H-1-benzofuran-5-carboxylate
CID 15284749
ethyl 4-[2-(2,2,4,4-tetramethyl-3H-chromen-6-yl)-2-trimethylsilylethenyl]benzoate
CID 54132228
methyl 4-hydroxyimino-2,2-dimethyl-3H-chromene-6-carboxylate
CID 142688065
dimethyl 9,9-dimethylxanthene-2,6-dicarboxylate
CID 10711221
methyl 1,1,3,3-tetramethyl-2-benzofuran-5-carboxylate
CID 84820512
2,2,4,4-tetramethyl-6-nitro-3H-chromene
CID 71376201
methyl (1R,9S)-1,9-dimethyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-5-carboxylate
CID 170988495
methyl 2-methyl-2-prop-1-en-2-yl-3H-1-benzofuran-5-carboxylate
CID 46844484
methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
methyl 2-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-oxoacetate
CID 107293835
6-methoxycarbonyl-2,4-dimethyl-3H-1,4-benzoxazine-2-carboxylic acid
CID 126646074

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate?
The IUPAC name of methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate (CID 22944033) is methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate.
What is the SMILES notation for methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate?
The canonical SMILES for methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate is COC(=O)c1ccc2c(c1)C(C)(C)CC(C)(C)O2.
What is the InChIKey of methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate?
The InChIKey is DBOPLBNBHWLKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-14(2)9-15(3,4)18-12-7-6-10(8-11(12)14)13(16)17-5/h6-8H,9H2,1-5H3.
What are the key properties of methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate?
methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,4,4-tetramethyl-3H-chromene-6-carboxylate is sourced from PubChem (CID 22944033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).