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

C16H23NO4 — CID 7581205

IUPAC[(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)oc2c1[C@H](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/t11-/m1/s1
InChIKeyNAXOJMPNJCAPMI-LLVKDONJSA-N
MW293.36 g/mol
LogP2.07
Rot. Bonds1

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

[(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl]-morpholin-4-ylmethanone (PubChem CID 7581205) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl]-morpholin-4-ylmethanone
PubChem CID7581205
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)oc2c1[C@H](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/t11-/m1/s1
InChIKeyNAXOJMPNJCAPMI-LLVKDONJSA-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 [(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl]-morpholin-4-ylmethanone (CID 7581205) is [(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl]-morpholin-4-ylmethanone is Cc1c(C(=O)N2CCOCC2)oc2c1[C@H](O)CC(C)(C)C2.
What is the InChIKey of [(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl]-morpholin-4-ylmethanone?
The InChIKey is NAXOJMPNJCAPMI-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of [(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl]-morpholin-4-ylmethanone?
[(4R)-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 [(4R)-4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 7581205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).