2-anilinoethanol;1,3-dihydroxypropan-2-one

C11H17NO4 — CID 67927731

IUPAC2-anilinoethanol;1,3-dihydroxypropan-2-one
SMILESO=C(CO)CO.OCCNc1ccccc1
InChIInChI=1S/C8H11NO.C3H6O3/c10-7-6-9-8-4-2-1-3-5-8;4-1-3(6)2-5/h1-5,9-10H,6-7H2;4-5H,1-2H2
InChIKeyOPCAYWRQVYDRTC-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.37
Rot. Bonds5

About 2-anilinoethanol;1,3-dihydroxypropan-2-one

2-anilinoethanol;1,3-dihydroxypropan-2-one (PubChem CID 67927731) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-anilinoethanol;1,3-dihydroxypropan-2-one.

Molecular Properties

Compound Name2-anilinoethanol;1,3-dihydroxypropan-2-one
PubChem CID67927731
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-anilinoethanol;1,3-dihydroxypropan-2-one
SMILESO=C(CO)CO.OCCNc1ccccc1
InChIInChI=1S/C8H11NO.C3H6O3/c10-7-6-9-8-4-2-1-3-5-8;4-1-3(6)2-5/h1-5,9-10H,6-7H2;4-5H,1-2H2
InChIKeyOPCAYWRQVYDRTC-UHFFFAOYSA-N
XLogP-0.37
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-anilinoethanol;1,3-dihydroxypropan-2-one?
The IUPAC name of 2-anilinoethanol;1,3-dihydroxypropan-2-one (CID 67927731) is 2-anilinoethanol;1,3-dihydroxypropan-2-one.
What is the SMILES notation for 2-anilinoethanol;1,3-dihydroxypropan-2-one?
The canonical SMILES for 2-anilinoethanol;1,3-dihydroxypropan-2-one is O=C(CO)CO.OCCNc1ccccc1.
What is the InChIKey of 2-anilinoethanol;1,3-dihydroxypropan-2-one?
The InChIKey is OPCAYWRQVYDRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C3H6O3/c10-7-6-9-8-4-2-1-3-5-8;4-1-3(6)2-5/h1-5,9-10H,6-7H2;4-5H,1-2H2.
What are the key properties of 2-anilinoethanol;1,3-dihydroxypropan-2-one?
2-anilinoethanol;1,3-dihydroxypropan-2-one has a molecular weight of 227.26 g/mol, XLogP of -0.37, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinoethanol;1,3-dihydroxypropan-2-one is sourced from PubChem (CID 67927731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).