4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol

C17H16ClNO2 — CID 117180760

IUPAC4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol
SMILESCCn1c(COc2ccc(O)cc2)cc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClNO2/c1-2-19-14(9-12-3-4-13(18)10-17(12)19)11-21-16-7-5-15(20)6-8-16/h3-10,20H,2,11H2,1H3
InChIKeyJUPWGKSZXQSPCH-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.60
Rot. Bonds4

About 4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol

4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol (PubChem CID 117180760) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol.

Molecular Properties

Compound Name4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol
PubChem CID117180760
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol
SMILESCCn1c(COc2ccc(O)cc2)cc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClNO2/c1-2-19-14(9-12-3-4-13(18)10-17(12)19)11-21-16-7-5-15(20)6-8-16/h3-10,20H,2,11H2,1H3
InChIKeyJUPWGKSZXQSPCH-UHFFFAOYSA-N
XLogP4.60
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenoxy)methyl]-1-ethylindole
CID 117173925
4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol
CID 117185480
5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
CID 117180708
1-ethyl-2-(phenoxymethyl)indole-6-carboxylic acid
CID 117180897
6-chloro-1-ethyl-2-(methylsulfanylmethyl)indole
CID 117180802
[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine
CID 117180500
[1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine
CID 117180480
1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
6-chloro-1-ethyl-2-(propan-2-ylsulfanylmethyl)indole
CID 117180808
2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol
CID 117180764
1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol
CID 117173947

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol?
The IUPAC name of 4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol (CID 117180760) is 4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol.
What is the SMILES notation for 4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol?
The canonical SMILES for 4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol is CCn1c(COc2ccc(O)cc2)cc2ccc(Cl)cc21.
What is the InChIKey of 4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol?
The InChIKey is JUPWGKSZXQSPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-2-19-14(9-12-3-4-13(18)10-17(12)19)11-21-16-7-5-15(20)6-8-16/h3-10,20H,2,11H2,1H3.
What are the key properties of 4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol?
4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol has a molecular weight of 301.77 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol is sourced from PubChem (CID 117180760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).