2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol

C10H14ClNO3 — CID 171257518

IUPAC2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol
SMILESCOc1ccc(Cl)c(O)c1[C@H](N)CCO
InChIInChI=1S/C10H14ClNO3/c1-15-8-3-2-6(11)10(14)9(8)7(12)4-5-13/h2-3,7,13-14H,4-5,12H2,1H3/t7-/m1/s1
InChIKeyARQOPVIUZNUJOG-SSDOTTSWSA-N
MW231.68 g/mol
LogP1.44
Rot. Bonds4

About 2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol

2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol (PubChem CID 171257518) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol
PubChem CID171257518
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol
SMILESCOc1ccc(Cl)c(O)c1[C@H](N)CCO
InChIInChI=1S/C10H14ClNO3/c1-15-8-3-2-6(11)10(14)9(8)7(12)4-5-13/h2-3,7,13-14H,4-5,12H2,1H3/t7-/m1/s1
InChIKeyARQOPVIUZNUJOG-SSDOTTSWSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol
CID 131188057
2-[(1R)-1-aminopropyl]-6-chloro-3-methoxyphenol;hydrochloride
CID 171257502
2-[(1R)-1-amino-3-methylbut-3-enyl]-6-chloro-3-methoxyphenol
CID 171257550
2-[(1S)-1-aminoethyl]-6-chloro-3-methoxyphenol
CID 130804121
3-(1-amino-3-hydroxypropyl)-2-chloro-6-methoxyphenol;hydrochloride
CID 170874866
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171201207
2-[(1S)-1-amino-3-hydroxypropyl]-3-hydroxy-4-methoxybenzonitrile
CID 171255019
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol
CID 116937817
2-[(1S)-1,2-diaminoethyl]-3,6-dimethoxyphenol
CID 66516800
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol
CID 131117949
3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55271938
3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol
CID 84714745

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol?
The IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol (CID 171257518) is 2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol.
What is the SMILES notation for 2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol?
The canonical SMILES for 2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol is COc1ccc(Cl)c(O)c1[C@H](N)CCO.
What is the InChIKey of 2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol?
The InChIKey is ARQOPVIUZNUJOG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14ClNO3/c1-15-8-3-2-6(11)10(14)9(8)7(12)4-5-13/h2-3,7,13-14H,4-5,12H2,1H3/t7-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol?
2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol has a molecular weight of 231.68 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol is sourced from PubChem (CID 171257518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).