4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole

C17H14ClNO — CID 116623721

IUPAC4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole
SMILESClc1cccc2c1ccn2CC1COc2ccccc21
InChIInChI=1S/C17H14ClNO/c18-15-5-3-6-16-14(15)8-9-19(16)10-12-11-20-17-7-2-1-4-13(12)17/h1-9,12H,10-11H2
InChIKeyXFGUERKPXINSTE-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.47
Rot. Bonds2

About 4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole

4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole (PubChem CID 116623721) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole.

Molecular Properties

Compound Name4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole
PubChem CID116623721
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole
SMILESClc1cccc2c1ccn2CC1COc2ccccc21
InChIInChI=1S/C17H14ClNO/c18-15-5-3-6-16-14(15)8-9-19(16)10-12-11-20-17-7-2-1-4-13(12)17/h1-9,12H,10-11H2
InChIKeyXFGUERKPXINSTE-UHFFFAOYSA-N
XLogP4.47
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole?
The IUPAC name of 4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole (CID 116623721) is 4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole.
What is the SMILES notation for 4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole?
The canonical SMILES for 4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole is Clc1cccc2c1ccn2CC1COc2ccccc21.
What is the InChIKey of 4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole?
The InChIKey is XFGUERKPXINSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c18-15-5-3-6-16-14(15)8-9-19(16)10-12-11-20-17-7-2-1-4-13(12)17/h1-9,12H,10-11H2.
What are the key properties of 4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole?
4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole has a molecular weight of 283.76 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole is sourced from PubChem (CID 116623721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).