[(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol

C14H16ClNO3 — CID 164640761

IUPAC[(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol
SMILESOC[C@H]1COCCN1Cc1c(Cl)oc2ccccc12
InChIInChI=1S/C14H16ClNO3/c15-14-12(11-3-1-2-4-13(11)19-14)7-16-5-6-18-9-10(16)8-17/h1-4,10,17H,5-9H2/t10-/m0/s1
InChIKeyFEXJCANSXFTBNY-JTQLQIEISA-N
MW281.74 g/mol
LogP2.28
Rot. Bonds3

About [(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol

[(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol (PubChem CID 164640761) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is [(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol
PubChem CID164640761
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name[(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol
SMILESOC[C@H]1COCCN1Cc1c(Cl)oc2ccccc12
InChIInChI=1S/C14H16ClNO3/c15-14-12(11-3-1-2-4-13(11)19-14)7-16-5-6-18-9-10(16)8-17/h1-4,10,17H,5-9H2/t10-/m0/s1
InChIKeyFEXJCANSXFTBNY-JTQLQIEISA-N
XLogP2.28
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol?
The IUPAC name of [(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol (CID 164640761) is [(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol.
What is the SMILES notation for [(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol?
The canonical SMILES for [(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol is OC[C@H]1COCCN1Cc1c(Cl)oc2ccccc12.
What is the InChIKey of [(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol?
The InChIKey is FEXJCANSXFTBNY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-14-12(11-3-1-2-4-13(11)19-14)7-16-5-6-18-9-10(16)8-17/h1-4,10,17H,5-9H2/t10-/m0/s1.
What are the key properties of [(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol?
[(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol has a molecular weight of 281.74 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-[(2-chloro-1-benzofuran-3-yl)methyl]morpholin-3-yl]methanol is sourced from PubChem (CID 164640761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).