2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol

C16H25ClN2O3 — CID 112540462

IUPAC2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol
SMILESCCOc1cc(C(CO)N2CCN(CC)CC2)cc(Cl)c1O
InChIInChI=1S/C16H25ClN2O3/c1-3-18-5-7-19(8-6-18)14(11-20)12-9-13(17)16(21)15(10-12)22-4-2/h9-10,14,20-21H,3-8,11H2,1-2H3
InChIKeyAROPKFVNPJKWMZ-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.12
Rot. Bonds6

About 2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol

2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol (PubChem CID 112540462) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol.

Molecular Properties

Compound Name2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol
PubChem CID112540462
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol
SMILESCCOc1cc(C(CO)N2CCN(CC)CC2)cc(Cl)c1O
InChIInChI=1S/C16H25ClN2O3/c1-3-18-5-7-19(8-6-18)14(11-20)12-9-13(17)16(21)15(10-12)22-4-2/h9-10,14,20-21H,3-8,11H2,1-2H3
InChIKeyAROPKFVNPJKWMZ-UHFFFAOYSA-N
XLogP2.12
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol
CID 112540464
2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol
CID 61054508
4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol
CID 83979614
4-amino-2-chloro-6-ethoxyphenol
CID 86120469
2-(4-butoxy-3-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 112540189
2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 65021916
2-chloro-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-6-methoxyphenol;hydrochloride
CID 171182151
(3-chloro-5-ethoxy-4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanethione
CID 135578993
2-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)acetic acid
CID 83979954
2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
CID 112540365
2-chloro-6-methoxy-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171296208
2-(3-chloro-4-ethoxyphenyl)butan-1-ol
CID 116964115

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol?
The IUPAC name of 2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol (CID 112540462) is 2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol.
What is the SMILES notation for 2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol?
The canonical SMILES for 2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol is CCOc1cc(C(CO)N2CCN(CC)CC2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol?
The InChIKey is AROPKFVNPJKWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3/c1-3-18-5-7-19(8-6-18)14(11-20)12-9-13(17)16(21)15(10-12)22-4-2/h9-10,14,20-21H,3-8,11H2,1-2H3.
What are the key properties of 2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol?
2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol has a molecular weight of 328.84 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol is sourced from PubChem (CID 112540462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).