ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate

C22H19NO3 — CID 917052

IUPACethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccccc1
InChIInChI=1S/C22H19NO3/c1-2-25-22(24)20-18(15-9-4-3-5-10-15)19-16-11-7-6-8-14(16)12-13-17(19)26-21(20)23/h3-13,18H,2,23H2,1H3/t18-/m1/s1
InChIKeyHQAKKJUVFWXIKJ-GOSISDBHSA-N
MW345.40 g/mol
LogP4.10
Rot. Bonds3

About ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate

ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate (PubChem CID 917052) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate
PubChem CID917052
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Nameethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccccc1
InChIInChI=1S/C22H19NO3/c1-2-25-22(24)20-18(15-9-4-3-5-10-15)19-16-11-7-6-8-14(16)12-13-17(19)26-21(20)23/h3-13,18H,2,23H2,1H3/t18-/m1/s1
InChIKeyHQAKKJUVFWXIKJ-GOSISDBHSA-N
XLogP4.10
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (1S)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carboxylate
CID 7039551
ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate
CID 40554150
ethyl (1S)-3-amino-1-(4-fluorophenyl)-9-hydroxy-1H-benzo[f]chromene-2-carboxylate
CID 1025841
ethyl 3-(1-benzofuran-2-carbonylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate
CID 19167233
ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 7184062
ethyl 1-phenyl-3-[[2-(4-phenylphenoxy)acetyl]amino]-1H-benzo[f]chromene-2-carboxylate
CID 19167485
ethyl 7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
CID 4160314
ethyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-1-phenyl-1H-benzo[f]chromene-2-carboxylate
CID 19167244
ethyl (4S)-2-amino-4-(4-methoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 1426600
2-[3-amino-1-(2,4-dichlorophenyl)-1H-benzo[f]chromene-2-carbonyl]oxyethyl-trimethylazanium
CID 52937297
ethyl 2-amino-4-(4-ethylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 17340859
ethyl (4S)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carboxylate
CID 985619

Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate?
The IUPAC name of ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate (CID 917052) is ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate.
What is the SMILES notation for ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate?
The canonical SMILES for ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate is CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccccc1.
What is the InChIKey of ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate?
The InChIKey is HQAKKJUVFWXIKJ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H19NO3/c1-2-25-22(24)20-18(15-9-4-3-5-10-15)19-16-11-7-6-8-14(16)12-13-17(19)26-21(20)23/h3-13,18H,2,23H2,1H3/t18-/m1/s1.
What are the key properties of ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate?
ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-3-amino-1-phenyl-1H-benzo[f]chromene-2-carboxylate is sourced from PubChem (CID 917052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).