(9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone

C22H27NO5 — CID 20916486

IUPAC(9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)oc2ccc3c(c12)C(O)CC1(CCCCC1)O3
InChIInChI=1S/C22H27NO5/c1-14-18-16(27-20(14)21(25)23-9-11-26-12-10-23)5-6-17-19(18)15(24)13-22(28-17)7-3-2-4-8-22/h5-6,15,24H,2-4,7-13H2,1H3
InChIKeyWTAKOMUOJVZEAE-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.73
Rot. Bonds1

About (9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone

(9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone (PubChem CID 20916486) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is (9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone
PubChem CID20916486
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name(9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)oc2ccc3c(c12)C(O)CC1(CCCCC1)O3
InChIInChI=1S/C22H27NO5/c1-14-18-16(27-20(14)21(25)23-9-11-26-12-10-23)5-6-17-19(18)15(24)13-22(28-17)7-3-2-4-8-22/h5-6,15,24H,2-4,7-13H2,1H3
InChIKeyWTAKOMUOJVZEAE-UHFFFAOYSA-N
XLogP3.73
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone (CID 20916486) is (9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone is Cc1c(C(=O)N2CCOCC2)oc2ccc3c(c12)C(O)CC1(CCCCC1)O3.
What is the InChIKey of (9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone?
The InChIKey is WTAKOMUOJVZEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-14-18-16(27-20(14)21(25)23-9-11-26-12-10-23)5-6-17-19(18)15(24)13-22(28-17)7-3-2-4-8-22/h5-6,15,24H,2-4,7-13H2,1H3.
What are the key properties of (9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone?
(9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone has a molecular weight of 385.46 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-hydroxy-1-methylspiro[8,9-dihydrofuro[3,2-f]chromene-7,1'-cyclohexane]-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 20916486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).