2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol

C17H16Cl2N2O2 — CID 123157205

IUPAC2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol
SMILESCCCOc1ccc(C2(O)C(N)=Nc3ccc(Cl)cc32)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-7-23-11-4-5-12(14(19)9-11)17(22)13-8-10(18)3-6-15(13)21-16(17)20/h3-6,8-9,22H,2,7H2,1H3,(H2,20,21)
InChIKeyYHUIFJYNUCYTBR-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.02
Rot. Bonds4

About 2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol

2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol (PubChem CID 123157205) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol.

Molecular Properties

Compound Name2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol
PubChem CID123157205
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol
SMILESCCCOc1ccc(C2(O)C(N)=Nc3ccc(Cl)cc32)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-7-23-11-4-5-12(14(19)9-11)17(22)13-8-10(18)3-6-15(13)21-16(17)20/h3-6,8-9,22H,2,7H2,1H3,(H2,20,21)
InChIKeyYHUIFJYNUCYTBR-UHFFFAOYSA-N
XLogP4.02
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-propoxynaphthalene
CID 125116367
2-chloro-1-ethyl-4-propoxybenzene
CID 21064447
ethyl 2-chloro-4-propoxybenzoate
CID 82551799
(2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone
CID 64915974
3-(2,4-dichlorophenoxy)-5-propoxyaniline
CID 80748821
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43108494
N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine
CID 103102306
(2,5-dichlorophenyl)-(3-propoxyphenyl)methanol
CID 62919523
(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
CID 63492692
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol?
The IUPAC name of 2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol (CID 123157205) is 2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol.
What is the SMILES notation for 2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol?
The canonical SMILES for 2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol is CCCOc1ccc(C2(O)C(N)=Nc3ccc(Cl)cc32)c(Cl)c1.
What is the InChIKey of 2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol?
The InChIKey is YHUIFJYNUCYTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-2-7-23-11-4-5-12(14(19)9-11)17(22)13-8-10(18)3-6-15(13)21-16(17)20/h3-6,8-9,22H,2,7H2,1H3,(H2,20,21).
What are the key properties of 2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol?
2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol has a molecular weight of 351.23 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol is sourced from PubChem (CID 123157205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).