(Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one

C16H15NO2 — CID 10060825

IUPAC(Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one
SMILESCN(O)/C=C\C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-17(19)12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,19H,1H3/b12-11-
InChIKeyZZYCZRUJXOZHRM-QXMHVHEDSA-N
MW253.30 g/mol
LogP3.37
Rot. Bonds4

About (Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one

(Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one (PubChem CID 10060825) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one
PubChem CID10060825
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one
SMILESCN(O)/C=C\C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-17(19)12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,19H,1H3/b12-11-
InChIKeyZZYCZRUJXOZHRM-QXMHVHEDSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 737448
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
(E)-3-anilino-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346527
3-[3-[3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 3939138
(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one
CID 101376278
3-(4-methylanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917270
1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 1322238
3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 799151
3-(dimethylamino)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 66935305
(Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one
CID 54601920
(Z)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)prop-2-en-1-one
CID 10264418
3-(2-chlorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 5175101

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one (CID 10060825) is (Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one is CN(O)/C=C\C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one?
The InChIKey is ZZYCZRUJXOZHRM-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H15NO2/c1-17(19)12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,19H,1H3/b12-11-.
What are the key properties of (Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one?
(Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one has a molecular weight of 253.30 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[hydroxy(methyl)amino]-1-(4-phenylphenyl)prop-2-en-1-one is sourced from PubChem (CID 10060825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).