4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine

C17H23ClN2O5 — CID 159595440

IUPAC4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine
SMILESCOCCOCCOc1cc(N)ccc1N.Oc1ccc(Cl)c(O)c1
InChIInChI=1S/C11H18N2O3.C6H5ClO2/c1-14-4-5-15-6-7-16-11-8-9(12)2-3-10(11)13;7-5-2-1-4(8)3-6(5)9/h2-3,8H,4-7,12-13H2,1H3;1-3,8-9H
InChIKeyMKTWRHHMLJNOHQ-UHFFFAOYSA-N
MW370.83 g/mol
LogP2.64
Rot. Bonds7

About 4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine

4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine (PubChem CID 159595440) has the molecular formula C17H23ClN2O5 and a molecular weight of 370.83 g/mol. Its IUPAC name is 4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine.

Molecular Properties

Compound Name4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine
PubChem CID159595440
Molecular FormulaC17H23ClN2O5
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC Name4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine
SMILESCOCCOCCOc1cc(N)ccc1N.Oc1ccc(Cl)c(O)c1
InChIInChI=1S/C11H18N2O3.C6H5ClO2/c1-14-4-5-15-6-7-16-11-8-9(12)2-3-10(11)13;7-5-2-1-4(8)3-6(5)9/h2-3,8H,4-7,12-13H2,1H3;1-3,8-9H
InChIKeyMKTWRHHMLJNOHQ-UHFFFAOYSA-N
XLogP2.64
TPSA120.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine;naphthalen-1-ol
CID 158246343
4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride
CID 102159784
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
5-amino-2-[2-(2-methoxyethoxy)ethoxy]benzenesulfonamide
CID 104560023
2-[2-[2-[2,2-diamino-2-(2,5-diaminophenoxy)ethoxy]ethoxy]ethoxy]benzene-1,4-diamine
CID 90896274
4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 104559956
4-bromo-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103400937
2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
CID 113426736
2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate
CID 113427093
4-chlorobenzene-1,3-diol
CID 1731
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N-methylbenzamide
CID 103176833
4-amino-2-[2-(3-methoxypropoxy)ethoxy]-N,N-dimethylbenzamide
CID 103176836

Frequently Asked Questions

What is the IUPAC name of 4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine?
The IUPAC name of 4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine (CID 159595440) is 4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine.
What is the SMILES notation for 4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine?
The canonical SMILES for 4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine is COCCOCCOc1cc(N)ccc1N.Oc1ccc(Cl)c(O)c1.
What is the InChIKey of 4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine?
The InChIKey is MKTWRHHMLJNOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3.C6H5ClO2/c1-14-4-5-15-6-7-16-11-8-9(12)2-3-10(11)13;7-5-2-1-4(8)3-6(5)9/h2-3,8H,4-7,12-13H2,1H3;1-3,8-9H.
What are the key properties of 4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine?
4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine has a molecular weight of 370.83 g/mol, XLogP of 2.64, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzene-1,3-diol;2-[2-(2-methoxyethoxy)ethoxy]benzene-1,4-diamine is sourced from PubChem (CID 159595440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).