(2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol

C17H21NO3 — CID 24754584

IUPAC(2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol
SMILESOC[C@@H](CCOCc1ccccc1)ONc1ccccc1
InChIInChI=1S/C17H21NO3/c19-13-17(21-18-16-9-5-2-6-10-16)11-12-20-14-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2/t17-/m1/s1
InChIKeyLCBRMCDDAKPPSX-QGZVFWFLSA-N
MW287.36 g/mol
LogP3.00
Rot. Bonds9

About (2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol

(2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol (PubChem CID 24754584) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol.

Molecular Properties

Compound Name(2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol
PubChem CID24754584
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol
SMILESOC[C@@H](CCOCc1ccccc1)ONc1ccccc1
InChIInChI=1S/C17H21NO3/c19-13-17(21-18-16-9-5-2-6-10-16)11-12-20-14-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2/t17-/m1/s1
InChIKeyLCBRMCDDAKPPSX-QGZVFWFLSA-N
XLogP3.00
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(anilinomethyl)-4-phenylmethoxybutan-1-ol
CID 54578379
(3S)-3,5-bis(phenylmethoxy)pentan-1-ol
CID 15168221
(2R)-2-fluoro-4-phenylmethoxybutan-1-ol
CID 129405204
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
(2S,3R)-2-methyl-5-phenylmethoxypentane-1,3-diol
CID 13113147
1,4-bis(phenylmethoxy)butan-2-yloxymethanediol
CID 166952138
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine
CID 14814233
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407

Frequently Asked Questions

What is the IUPAC name of (2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol?
The IUPAC name of (2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol (CID 24754584) is (2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol.
What is the SMILES notation for (2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol?
The canonical SMILES for (2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol is OC[C@@H](CCOCc1ccccc1)ONc1ccccc1.
What is the InChIKey of (2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol?
The InChIKey is LCBRMCDDAKPPSX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO3/c19-13-17(21-18-16-9-5-2-6-10-16)11-12-20-14-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2/t17-/m1/s1.
What are the key properties of (2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol?
(2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol has a molecular weight of 287.36 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol is sourced from PubChem (CID 24754584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).