8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one

C27H23NO4 — CID 59335353

IUPAC8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one
SMILESCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2c1-c1ccccc1C2
InChIInChI=1S/C27H23NO4/c1-30-24-10-9-19(22-15-17-5-2-3-6-18(17)26(22)24)20-7-4-8-21-23(29)16-25(32-27(20)21)28-11-13-31-14-12-28/h2-10,16H,11-15H2,1H3
InChIKeyIPRHHAXYQNCONL-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.88
Rot. Bonds3

About 8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one

8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one (PubChem CID 59335353) has the molecular formula C27H23NO4 and a molecular weight of 425.48 g/mol. Its IUPAC name is 8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one
PubChem CID59335353
Molecular FormulaC27H23NO4
Molecular Weight425.48 g/mol
Exact Mass425.16
IUPAC Name8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one
SMILESCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2c1-c1ccccc1C2
InChIInChI=1S/C27H23NO4/c1-30-24-10-9-19(22-15-17-5-2-3-6-18(17)26(22)24)20-7-4-8-21-23(29)16-25(32-27(20)21)28-11-13-31-14-12-28/h2-10,16H,11-15H2,1H3
InChIKeyIPRHHAXYQNCONL-UHFFFAOYSA-N
XLogP4.88
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one (CID 59335353) is 8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one is COc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2c1-c1ccccc1C2.
What is the InChIKey of 8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one?
The InChIKey is IPRHHAXYQNCONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4/c1-30-24-10-9-19(22-15-17-5-2-3-6-18(17)26(22)24)20-7-4-8-21-23(29)16-25(32-27(20)21)28-11-13-31-14-12-28/h2-10,16H,11-15H2,1H3.
What are the key properties of 8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one?
8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one has a molecular weight of 425.48 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 59335353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).