2-amino-1-(3-chlorophenyl)ethanol;carbonic acid

C9H12ClNO4 — CID 67865938

IUPAC2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
SMILESNCC(O)c1cccc(Cl)c1.O=C(O)O
InChIInChI=1S/C8H10ClNO.CH2O3/c9-7-3-1-2-6(4-7)8(11)5-10;2-1(3)4/h1-4,8,11H,5,10H2;(H2,2,3,4)
InChIKeyCTQQHQXOLGWMGY-UHFFFAOYSA-N
MW233.65 g/mol
LogP1.55
Rot. Bonds2

About 2-amino-1-(3-chlorophenyl)ethanol;carbonic acid

2-amino-1-(3-chlorophenyl)ethanol;carbonic acid (PubChem CID 67865938) has the molecular formula C9H12ClNO4 and a molecular weight of 233.65 g/mol. Its IUPAC name is 2-amino-1-(3-chlorophenyl)ethanol;carbonic acid.

Molecular Properties

Compound Name2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
PubChem CID67865938
Molecular FormulaC9H12ClNO4
Molecular Weight233.65 g/mol
Exact Mass233.05
IUPAC Name2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
SMILESNCC(O)c1cccc(Cl)c1.O=C(O)O
InChIInChI=1S/C8H10ClNO.CH2O3/c9-7-3-1-2-6(4-7)8(11)5-10;2-1(3)4/h1-4,8,11H,5,10H2;(H2,2,3,4)
InChIKeyCTQQHQXOLGWMGY-UHFFFAOYSA-N
XLogP1.55
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-3-hydroxypropanoate
CID 19770450
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
2-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]acetamide;hydrochloride
CID 119287112
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587
2-amino-1-(3-chlorophenyl)ethanol;methyl 2-(4-propylphenoxy)acetate
CID 70472638
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
2-(4-aminophenyl)ethyl-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]carbamic acid
CID 69052441
(3-chlorophenyl)methanediol
CID 20679602

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chlorophenyl)ethanol;carbonic acid?
The IUPAC name of 2-amino-1-(3-chlorophenyl)ethanol;carbonic acid (CID 67865938) is 2-amino-1-(3-chlorophenyl)ethanol;carbonic acid.
What is the SMILES notation for 2-amino-1-(3-chlorophenyl)ethanol;carbonic acid?
The canonical SMILES for 2-amino-1-(3-chlorophenyl)ethanol;carbonic acid is NCC(O)c1cccc(Cl)c1.O=C(O)O.
What is the InChIKey of 2-amino-1-(3-chlorophenyl)ethanol;carbonic acid?
The InChIKey is CTQQHQXOLGWMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.CH2O3/c9-7-3-1-2-6(4-7)8(11)5-10;2-1(3)4/h1-4,8,11H,5,10H2;(H2,2,3,4).
What are the key properties of 2-amino-1-(3-chlorophenyl)ethanol;carbonic acid?
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid has a molecular weight of 233.65 g/mol, XLogP of 1.55, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chlorophenyl)ethanol;carbonic acid is sourced from PubChem (CID 67865938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).