2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one

C23H21NO3 — CID 12024774

IUPAC2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one
SMILESO=c1oc2ccccc2c2oc(NC3CCCCC3)c(-c3ccccc3)c12
InChIInChI=1S/C23H21NO3/c25-23-20-19(15-9-3-1-4-10-15)22(24-16-11-5-2-6-12-16)27-21(20)17-13-7-8-14-18(17)26-23/h1,3-4,7-10,13-14,16,24H,2,5-6,11-12H2
InChIKeyNAXXDTIJIUDNNW-UHFFFAOYSA-N
MW359.42 g/mol
LogP5.95
Rot. Bonds3

About 2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one

2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one (PubChem CID 12024774) has the molecular formula C23H21NO3 and a molecular weight of 359.42 g/mol. Its IUPAC name is 2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one
PubChem CID12024774
Molecular FormulaC23H21NO3
Molecular Weight359.42 g/mol
Exact Mass359.15
IUPAC Name2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one
SMILESO=c1oc2ccccc2c2oc(NC3CCCCC3)c(-c3ccccc3)c12
InChIInChI=1S/C23H21NO3/c25-23-20-19(15-9-3-1-4-10-15)22(24-16-11-5-2-6-12-16)27-21(20)17-13-7-8-14-18(17)26-23/h1,3-4,7-10,13-14,16,24H,2,5-6,11-12H2
InChIKeyNAXXDTIJIUDNNW-UHFFFAOYSA-N
XLogP5.95
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.42
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one?
The IUPAC name of 2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one (CID 12024774) is 2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one.
What is the SMILES notation for 2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one?
The canonical SMILES for 2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one is O=c1oc2ccccc2c2oc(NC3CCCCC3)c(-c3ccccc3)c12.
What is the InChIKey of 2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one?
The InChIKey is NAXXDTIJIUDNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-23-20-19(15-9-3-1-4-10-15)22(24-16-11-5-2-6-12-16)27-21(20)17-13-7-8-14-18(17)26-23/h1,3-4,7-10,13-14,16,24H,2,5-6,11-12H2.
What are the key properties of 2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one?
2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one has a molecular weight of 359.42 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-3-phenylfuro[3,2-c]chromen-4-one is sourced from PubChem (CID 12024774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).