5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol

C15H16ClNO2 — CID 107706758

IUPAC5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol
SMILESCc1cccc(Cl)c1NC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H16ClNO2/c1-9-4-3-5-14(16)15(9)17-10(2)11-6-12(18)8-13(19)7-11/h3-8,10,17-19H,1-2H3
InChIKeyINZUQPFZUUKHCV-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.23
Rot. Bonds3

About 5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol

5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol (PubChem CID 107706758) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol
PubChem CID107706758
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol
SMILESCc1cccc(Cl)c1NC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H16ClNO2/c1-9-4-3-5-14(16)15(9)17-10(2)11-6-12(18)8-13(19)7-11/h3-8,10,17-19H,1-2H3
InChIKeyINZUQPFZUUKHCV-UHFFFAOYSA-N
XLogP4.23
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol (CID 107706758) is 5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol is Cc1cccc(Cl)c1NC(C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol?
The InChIKey is INZUQPFZUUKHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-9-4-3-5-14(16)15(9)17-10(2)11-6-12(18)8-13(19)7-11/h3-8,10,17-19H,1-2H3.
What are the key properties of 5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol?
5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol has a molecular weight of 277.75 g/mol, XLogP of 4.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chloro-6-methylanilino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).