4-chloro-1-(furan-3-ylmethyl)indole

C13H10ClNO — CID 116623869

IUPAC4-chloro-1-(furan-3-ylmethyl)indole
SMILESClc1cccc2c1ccn2Cc1ccoc1
InChIInChI=1S/C13H10ClNO/c14-12-2-1-3-13-11(12)4-6-15(13)8-10-5-7-16-9-10/h1-7,9H,8H2
InChIKeyZLVCBKFFRBEFSI-UHFFFAOYSA-N
MW231.68 g/mol
LogP3.94
Rot. Bonds2

About 4-chloro-1-(furan-3-ylmethyl)indole

4-chloro-1-(furan-3-ylmethyl)indole (PubChem CID 116623869) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is 4-chloro-1-(furan-3-ylmethyl)indole.

Molecular Properties

Compound Name4-chloro-1-(furan-3-ylmethyl)indole
PubChem CID116623869
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name4-chloro-1-(furan-3-ylmethyl)indole
SMILESClc1cccc2c1ccn2Cc1ccoc1
InChIInChI=1S/C13H10ClNO/c14-12-2-1-3-13-11(12)4-6-15(13)8-10-5-7-16-9-10/h1-7,9H,8H2
InChIKeyZLVCBKFFRBEFSI-UHFFFAOYSA-N
XLogP3.94
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(furan-3-ylmethyl)indole?
The IUPAC name of 4-chloro-1-(furan-3-ylmethyl)indole (CID 116623869) is 4-chloro-1-(furan-3-ylmethyl)indole.
What is the SMILES notation for 4-chloro-1-(furan-3-ylmethyl)indole?
The canonical SMILES for 4-chloro-1-(furan-3-ylmethyl)indole is Clc1cccc2c1ccn2Cc1ccoc1.
What is the InChIKey of 4-chloro-1-(furan-3-ylmethyl)indole?
The InChIKey is ZLVCBKFFRBEFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO/c14-12-2-1-3-13-11(12)4-6-15(13)8-10-5-7-16-9-10/h1-7,9H,8H2.
What are the key properties of 4-chloro-1-(furan-3-ylmethyl)indole?
4-chloro-1-(furan-3-ylmethyl)indole has a molecular weight of 231.68 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(furan-3-ylmethyl)indole is sourced from PubChem (CID 116623869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).