1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol

C16H15NO2 — CID 19018202

IUPAC1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol
SMILESONCc1ccc(C(O)C#Cc2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c18-16(11-8-13-4-2-1-3-5-13)15-9-6-14(7-10-15)12-17-19/h1-7,9-10,16-19H,12H2
InChIKeyMHEPZGIPXNMSKT-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.25
Rot. Bonds3

About 1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol

1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol (PubChem CID 19018202) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol
PubChem CID19018202
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol
SMILESONCc1ccc(C(O)C#Cc2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c18-16(11-8-13-4-2-1-3-5-13)15-9-6-14(7-10-15)12-17-19/h1-7,9-10,16-19H,12H2
InChIKeyMHEPZGIPXNMSKT-UHFFFAOYSA-N
XLogP2.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-hydroxy-3-phenylprop-2-ynyl)benzoic acid
CID 19705966
(1R)-1-[2-[(1R)-1-hydroxy-3-phenylprop-2-ynyl]phenyl]-3-phenylprop-2-yn-1-ol
CID 95988930
(1S)-1-(furan-3-yl)-3-phenylprop-2-yn-1-ol
CID 11579298
N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine
CID 19038496
N-benzylhydroxylamine;2,3-dihydroxybutanedioic acid
CID 162320499
N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine
CID 134926721
N-benzylhydroxylamine;formaldehyde
CID 87671632
(1R)-1-(4-methoxyphenyl)-3-(4-propylphenyl)prop-2-yn-1-ol
CID 102125831
(3S)-1,5-diphenylpent-1-yn-3-ol
CID 54756336
(1S)-3-phenyl-1-thiophen-2-ylprop-2-yn-1-ol
CID 872569
(1R)-1,5-diphenylpent-2-yn-1-ol
CID 15880987
1-[3-(1-hydroxy-3-phenylprop-2-ynyl)phenyl]ethanone
CID 57326352

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol?
The IUPAC name of 1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol (CID 19018202) is 1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol.
What is the SMILES notation for 1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol?
The canonical SMILES for 1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol is ONCc1ccc(C(O)C#Cc2ccccc2)cc1.
What is the InChIKey of 1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol?
The InChIKey is MHEPZGIPXNMSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(11-8-13-4-2-1-3-5-13)15-9-6-14(7-10-15)12-17-19/h1-7,9-10,16-19H,12H2.
What are the key properties of 1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol?
1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol has a molecular weight of 253.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(hydroxyamino)methyl]phenyl]-3-phenylprop-2-yn-1-ol is sourced from PubChem (CID 19018202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).