ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate

C18H17NO4 — CID 2790079

IUPACethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccccc1
InChIInChI=1S/C18H17NO4/c1-2-22-18(21)16-15(11-6-4-3-5-7-11)13-9-8-12(20)10-14(13)23-17(16)19/h3-10,15,20H,2,19H2,1H3
InChIKeyQSYXPLNCWYFNQS-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.65
Rot. Bonds3

About ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate

ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate (PubChem CID 2790079) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate
PubChem CID2790079
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Nameethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccccc1
InChIInChI=1S/C18H17NO4/c1-2-22-18(21)16-15(11-6-4-3-5-7-11)13-9-8-12(20)10-14(13)23-17(16)19/h3-10,15,20H,2,19H2,1H3
InChIKeyQSYXPLNCWYFNQS-UHFFFAOYSA-N
XLogP2.65
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate (CID 2790079) is ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate is CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccccc1.
What is the InChIKey of ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate?
The InChIKey is QSYXPLNCWYFNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-22-18(21)16-15(11-6-4-3-5-7-11)13-9-8-12(20)10-14(13)23-17(16)19/h3-10,15,20H,2,19H2,1H3.
What are the key properties of ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate?
ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate is sourced from PubChem (CID 2790079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).