2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol

C10H14ClNO3 — CID 83894966

IUPAC2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol
SMILESCOCc1ccc(Cl)c(O)c1C(O)CN
InChIInChI=1S/C10H14ClNO3/c1-15-5-6-2-3-7(11)10(14)9(6)8(13)4-12/h2-3,8,13-14H,4-5,12H2,1H3
InChIKeyKGCVUYGAPJPXRB-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.18
Rot. Bonds4

About 2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol

2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol (PubChem CID 83894966) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol.

Molecular Properties

Compound Name2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol
PubChem CID83894966
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol
SMILESCOCc1ccc(Cl)c(O)c1C(O)CN
InChIInChI=1S/C10H14ClNO3/c1-15-5-6-2-3-7(11)10(14)9(6)8(13)4-12/h2-3,8,13-14H,4-5,12H2,1H3
InChIKeyKGCVUYGAPJPXRB-UHFFFAOYSA-N
XLogP1.18
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol?
The IUPAC name of 2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol (CID 83894966) is 2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol.
What is the SMILES notation for 2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol?
The canonical SMILES for 2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol is COCc1ccc(Cl)c(O)c1C(O)CN.
What is the InChIKey of 2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol?
The InChIKey is KGCVUYGAPJPXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3/c1-15-5-6-2-3-7(11)10(14)9(6)8(13)4-12/h2-3,8,13-14H,4-5,12H2,1H3.
What are the key properties of 2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol?
2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol has a molecular weight of 231.68 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-hydroxyethyl)-6-chloro-3-(methoxymethyl)phenol is sourced from PubChem (CID 83894966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).