5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol

C15H16ClNO3 — CID 107704980

IUPAC5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol
SMILESCOc1ccc(Cl)cc1NC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H16ClNO3/c1-9(10-5-12(18)8-13(19)6-10)17-14-7-11(16)3-4-15(14)20-2/h3-9,17-19H,1-2H3
InChIKeyCLHYAPFHZOFYRU-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.93
Rot. Bonds4

About 5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol

5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol (PubChem CID 107704980) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol
PubChem CID107704980
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol
SMILESCOc1ccc(Cl)cc1NC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H16ClNO3/c1-9(10-5-12(18)8-13(19)6-10)17-14-7-11(16)3-4-15(14)20-2/h3-9,17-19H,1-2H3
InChIKeyCLHYAPFHZOFYRU-UHFFFAOYSA-N
XLogP3.93
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
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5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-ethoxyaniline
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CID 112519910
4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-iodoaniline
CID 107632142
5-[1-(5-chloro-2-methoxyanilino)ethyl]furan-2-carboxylic acid
CID 103233651
5-chloro-2-methoxy-N-(5-methylhexan-2-yl)aniline
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5-chloro-2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
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CID 43785070

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol (CID 107704980) is 5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol is COc1ccc(Cl)cc1NC(C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol?
The InChIKey is CLHYAPFHZOFYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-9(10-5-12(18)8-13(19)6-10)17-14-7-11(16)3-4-15(14)20-2/h3-9,17-19H,1-2H3.
What are the key properties of 5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol?
5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol has a molecular weight of 293.75 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107704980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).