[(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol

C14H18ClNO2 — CID 79036064

About [(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol

[(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 79036064) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is [(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: [(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol
• PubChem CID: 79036064
• Molecular Formula: C14H18ClNO2
• Molecular Weight: 267.76 g/mol
• Exact Mass: 267.10
• IUPAC Name: [(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol
• SMILES: OC[C@@H]1CCCN1CC1Cc2cc(Cl)ccc2O1
• InChI: InChI=1S/C14H18ClNO2/c15-11-3-4-14-10(6-11)7-13(18-14)8-16-5-1-2-12(16)9-17/h3-4,6,12-13,17H,1-2,5,7-9H2/t12-,13?/m0/s1
• InChIKey: UDKBYYUYLPMZDM-UEWDXFNNSA-N
• XLogP: 2.10
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.76
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol?

The IUPAC name of [(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol (CID 79036064) is [(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol.

What is the SMILES notation for [(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol?

The canonical SMILES for [(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1CC1Cc2cc(Cl)ccc2O1.

What is the InChIKey of [(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol?

The InChIKey is UDKBYYUYLPMZDM-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-11-3-4-14-10(6-11)7-13(18-14)8-16-5-1-2-12(16)9-17/h3-4,6,12-13,17H,1-2,5,7-9H2/t12-,13?/m0/s1.

What are the key properties of [(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol?

[(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 267.76 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79036064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).