[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol

C14H18ClNO2 — CID 113403784

IUPAC[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1(Cc2cc(Cl)cc3c2OCC3)CCNC1
InChIInChI=1S/C14H18ClNO2/c15-12-5-10-1-4-18-13(10)11(6-12)7-14(9-17)2-3-16-8-14/h5-6,16-17H,1-4,7-9H2
InChIKeySCRCOGWKTQNASL-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.79
Rot. Bonds3

About [3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol

[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 113403784) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is [3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID113403784
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1(Cc2cc(Cl)cc3c2OCC3)CCNC1
InChIInChI=1S/C14H18ClNO2/c15-12-5-10-1-4-18-13(10)11(6-12)7-14(9-17)2-3-16-8-14/h5-6,16-17H,1-4,7-9H2
InChIKeySCRCOGWKTQNASL-UHFFFAOYSA-N
XLogP1.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2,5-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 66057552
2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid
CID 104546079
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908682
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569415
1-(6-azaspiro[2.5]octan-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116573104
1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol
CID 103564668
[3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 66059643
1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine
CID 105499911
[3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 103051183
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852664
3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-methylbutan-1-ol
CID 113381738
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831346

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol (CID 113403784) is [3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol is OCC1(Cc2cc(Cl)cc3c2OCC3)CCNC1.
What is the InChIKey of [3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is SCRCOGWKTQNASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-5-10-1-4-18-13(10)11(6-12)7-14(9-17)2-3-16-8-14/h5-6,16-17H,1-4,7-9H2.
What are the key properties of [3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol?
[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 267.76 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 113403784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).