4-chloro-1-(2-phenoxyethyl)indole

C16H14ClNO — CID 116623510

IUPAC4-chloro-1-(2-phenoxyethyl)indole
SMILESClc1cccc2c1ccn2CCOc1ccccc1
InChIInChI=1S/C16H14ClNO/c17-15-7-4-8-16-14(15)9-10-18(16)11-12-19-13-5-2-1-3-6-13/h1-10H,11-12H2
InChIKeyLHBWBGMIBXYPCG-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.37
Rot. Bonds4

About 4-chloro-1-(2-phenoxyethyl)indole

4-chloro-1-(2-phenoxyethyl)indole (PubChem CID 116623510) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-chloro-1-(2-phenoxyethyl)indole.

Molecular Properties

Compound Name4-chloro-1-(2-phenoxyethyl)indole
PubChem CID116623510
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name4-chloro-1-(2-phenoxyethyl)indole
SMILESClc1cccc2c1ccn2CCOc1ccccc1
InChIInChI=1S/C16H14ClNO/c17-15-7-4-8-16-14(15)9-10-18(16)11-12-19-13-5-2-1-3-6-13/h1-10H,11-12H2
InChIKeyLHBWBGMIBXYPCG-UHFFFAOYSA-N
XLogP4.37
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-nitro-1-(2-phenoxyethyl)indole
CID 115635424
4-chloro-1-(2-propoxyethyl)indole
CID 106458079
4-chloro-1-[2-(trifluoromethoxy)ethyl]indole
CID 116623860
4-fluoro-1-(3-phenoxypropyl)indole
CID 82792007
4-methoxy-1-(3-phenoxypropyl)indole
CID 83165816
4-chloro-1-(3-fluoropropyl)indole
CID 116623866
1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one
CID 116623868
4-chloro-1-(3,3-dimethoxypropyl)indole
CID 121393338
3-[2-(4-methylindol-1-yl)ethoxy]aniline
CID 43365841
4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole
CID 114531927
4-chloro-1-(pyridin-2-ylmethyl)indole
CID 116623601
4-chloro-1-[2-(trifluoromethylsulfanyl)ethyl]indole
CID 116623592

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-phenoxyethyl)indole?
The IUPAC name of 4-chloro-1-(2-phenoxyethyl)indole (CID 116623510) is 4-chloro-1-(2-phenoxyethyl)indole.
What is the SMILES notation for 4-chloro-1-(2-phenoxyethyl)indole?
The canonical SMILES for 4-chloro-1-(2-phenoxyethyl)indole is Clc1cccc2c1ccn2CCOc1ccccc1.
What is the InChIKey of 4-chloro-1-(2-phenoxyethyl)indole?
The InChIKey is LHBWBGMIBXYPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-15-7-4-8-16-14(15)9-10-18(16)11-12-19-13-5-2-1-3-6-13/h1-10H,11-12H2.
What are the key properties of 4-chloro-1-(2-phenoxyethyl)indole?
4-chloro-1-(2-phenoxyethyl)indole has a molecular weight of 271.75 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-phenoxyethyl)indole is sourced from PubChem (CID 116623510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).