(4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone

C16H23NO4 — CID 4901037

IUPAC(4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)oc2c1C(O)CC(C)(C)C2
InChIInChI=1S/C16H23NO4/c1-10-13-11(18)8-16(2,3)9-12(13)21-14(10)15(19)17-4-6-20-7-5-17/h11,18H,4-9H2,1-3H3
InChIKeyNAXOJMPNJCAPMI-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.07
Rot. Bonds1

About (4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone

(4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone (PubChem CID 4901037) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone
PubChem CID4901037
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)oc2c1C(O)CC(C)(C)C2
InChIInChI=1S/C16H23NO4/c1-10-13-11(18)8-16(2,3)9-12(13)21-14(10)15(19)17-4-6-20-7-5-17/h11,18H,4-9H2,1-3H3
InChIKeyNAXOJMPNJCAPMI-UHFFFAOYSA-N
XLogP2.07
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone (CID 4901037) is (4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone is Cc1c(C(=O)N2CCOCC2)oc2c1C(O)CC(C)(C)C2.
What is the InChIKey of (4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The InChIKey is NAXOJMPNJCAPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-10-13-11(18)8-16(2,3)9-12(13)21-14(10)15(19)17-4-6-20-7-5-17/h11,18H,4-9H2,1-3H3.
What are the key properties of (4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
(4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone has a molecular weight of 293.36 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 4901037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).