2-anilinoethanol;(2S)-2-hydroxyhexanoic acid

C14H23NO4 — CID 90456183

IUPAC2-anilinoethanol;(2S)-2-hydroxyhexanoic acid
SMILESCCCC[C@H](O)C(=O)O.OCCNc1ccccc1
InChIInChI=1S/C8H11NO.C6H12O3/c10-7-6-9-8-4-2-1-3-5-8;1-2-3-4-5(7)6(8)9/h1-5,9-10H,6-7H2;5,7H,2-4H2,1H3,(H,8,9)/t;5-/m.0/s1
InChIKeyHBXYGBGYNBBDGR-ZSCHJXSPSA-N
MW269.34 g/mol
LogP1.71
Rot. Bonds7

About 2-anilinoethanol;(2S)-2-hydroxyhexanoic acid

2-anilinoethanol;(2S)-2-hydroxyhexanoic acid (PubChem CID 90456183) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-anilinoethanol;(2S)-2-hydroxyhexanoic acid.

Molecular Properties

Compound Name2-anilinoethanol;(2S)-2-hydroxyhexanoic acid
PubChem CID90456183
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-anilinoethanol;(2S)-2-hydroxyhexanoic acid
SMILESCCCC[C@H](O)C(=O)O.OCCNc1ccccc1
InChIInChI=1S/C8H11NO.C6H12O3/c10-7-6-9-8-4-2-1-3-5-8;1-2-3-4-5(7)6(8)9/h1-5,9-10H,6-7H2;5,7H,2-4H2,1H3,(H,8,9)/t;5-/m.0/s1
InChIKeyHBXYGBGYNBBDGR-ZSCHJXSPSA-N
XLogP1.71
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilinoethanol;(2S)-2-hydroxyhexanoic acid?
The IUPAC name of 2-anilinoethanol;(2S)-2-hydroxyhexanoic acid (CID 90456183) is 2-anilinoethanol;(2S)-2-hydroxyhexanoic acid.
What is the SMILES notation for 2-anilinoethanol;(2S)-2-hydroxyhexanoic acid?
The canonical SMILES for 2-anilinoethanol;(2S)-2-hydroxyhexanoic acid is CCCC[C@H](O)C(=O)O.OCCNc1ccccc1.
What is the InChIKey of 2-anilinoethanol;(2S)-2-hydroxyhexanoic acid?
The InChIKey is HBXYGBGYNBBDGR-ZSCHJXSPSA-N. The full InChI is InChI=1S/C8H11NO.C6H12O3/c10-7-6-9-8-4-2-1-3-5-8;1-2-3-4-5(7)6(8)9/h1-5,9-10H,6-7H2;5,7H,2-4H2,1H3,(H,8,9)/t;5-/m.0/s1.
What are the key properties of 2-anilinoethanol;(2S)-2-hydroxyhexanoic acid?
2-anilinoethanol;(2S)-2-hydroxyhexanoic acid has a molecular weight of 269.34 g/mol, XLogP of 1.71, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinoethanol;(2S)-2-hydroxyhexanoic acid is sourced from PubChem (CID 90456183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).