methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate

C14H16O5 — CID 166070185

IUPACmethyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate
SMILESCOC(=O)c1c(O)cc2c(c1OC)C=CC(C)(C)O2
InChIInChI=1S/C14H16O5/c1-14(2)6-5-8-10(19-14)7-9(15)11(12(8)17-3)13(16)18-4/h5-7,15H,1-4H3
InChIKeyFXTIRXXFFSYIMC-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.37
Rot. Bonds2

About methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate

methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate (PubChem CID 166070185) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate
PubChem CID166070185
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Namemethyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate
SMILESCOC(=O)c1c(O)cc2c(c1OC)C=CC(C)(C)O2
InChIInChI=1S/C14H16O5/c1-14(2)6-5-8-10(19-14)7-9(15)11(12(8)17-3)13(16)18-4/h5-7,15H,1-4H3
InChIKeyFXTIRXXFFSYIMC-UHFFFAOYSA-N
XLogP2.37
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate?
The IUPAC name of methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate (CID 166070185) is methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate?
The canonical SMILES for methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate is COC(=O)c1c(O)cc2c(c1OC)C=CC(C)(C)O2.
What is the InChIKey of methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate?
The InChIKey is FXTIRXXFFSYIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-14(2)6-5-8-10(19-14)7-9(15)11(12(8)17-3)13(16)18-4/h5-7,15H,1-4H3.
What are the key properties of methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate?
methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate is sourced from PubChem (CID 166070185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).