benzyl 8-methoxy-2H-chromene-3-carboxylate

C18H16O4 — CID 1475910

IUPACbenzyl 8-methoxy-2H-chromene-3-carboxylate
SMILESCOc1cccc2c1OCC(C(=O)OCc1ccccc1)=C2
InChIInChI=1S/C18H16O4/c1-20-16-9-5-8-14-10-15(12-21-17(14)16)18(19)22-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3
InChIKeyRKJKPZSLVLWSNP-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.21
Rot. Bonds4

About benzyl 8-methoxy-2H-chromene-3-carboxylate

benzyl 8-methoxy-2H-chromene-3-carboxylate (PubChem CID 1475910) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is benzyl 8-methoxy-2H-chromene-3-carboxylate.

Molecular Properties

Compound Namebenzyl 8-methoxy-2H-chromene-3-carboxylate
PubChem CID1475910
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Namebenzyl 8-methoxy-2H-chromene-3-carboxylate
SMILESCOc1cccc2c1OCC(C(=O)OCc1ccccc1)=C2
InChIInChI=1S/C18H16O4/c1-20-16-9-5-8-14-10-15(12-21-17(14)16)18(19)22-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3
InChIKeyRKJKPZSLVLWSNP-UHFFFAOYSA-N
XLogP3.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 8-methoxy-2H-chromene-3-carboxylate?
The IUPAC name of benzyl 8-methoxy-2H-chromene-3-carboxylate (CID 1475910) is benzyl 8-methoxy-2H-chromene-3-carboxylate.
What is the SMILES notation for benzyl 8-methoxy-2H-chromene-3-carboxylate?
The canonical SMILES for benzyl 8-methoxy-2H-chromene-3-carboxylate is COc1cccc2c1OCC(C(=O)OCc1ccccc1)=C2.
What is the InChIKey of benzyl 8-methoxy-2H-chromene-3-carboxylate?
The InChIKey is RKJKPZSLVLWSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-20-16-9-5-8-14-10-15(12-21-17(14)16)18(19)22-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3.
What are the key properties of benzyl 8-methoxy-2H-chromene-3-carboxylate?
benzyl 8-methoxy-2H-chromene-3-carboxylate has a molecular weight of 296.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 8-methoxy-2H-chromene-3-carboxylate is sourced from PubChem (CID 1475910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).