3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one

C17H17NO2 — CID 172832773

IUPAC3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one
SMILESCN(C)c1ccc(C=CC(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H17NO2/c1-18(2)15-10-8-14(17(20)12-15)9-11-16(19)13-6-4-3-5-7-13/h3-12,20H,1-2H3
InChIKeyVSUYLKWLIDLWFV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.35
Rot. Bonds4

About 3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one

3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one (PubChem CID 172832773) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one
PubChem CID172832773
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one
SMILESCN(C)c1ccc(C=CC(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C17H17NO2/c1-18(2)15-10-8-14(17(20)12-15)9-11-16(19)13-6-4-3-5-7-13/h3-12,20H,1-2H3
InChIKeyVSUYLKWLIDLWFV-UHFFFAOYSA-N
XLogP3.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxy-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 67082787
3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 67082878
(E)-1-phenyl-3-(2,4,5-trihydroxyphenyl)prop-2-en-1-one
CID 146448432
(Z)-3-(2,5-dihydroxyphenyl)-1-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 102469351
(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 5356057
3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid
CID 70138823
(E)-3-(2-hydroxy-4-nitrophenyl)-1-phenylprop-2-en-1-one
CID 169226730
3-[4-(dimethylamino)phenyl]-1-phenylprop-2-en-1-one;3-(3-methylphenyl)-1-phenylprop-2-en-1-one
CID 67867669
4-[(Z)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]benzene-1,3-diolate
CID 101361692
3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 2749298
3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 34904119
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 52936922

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one?
The IUPAC name of 3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one (CID 172832773) is 3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one is CN(C)c1ccc(C=CC(=O)c2ccccc2)c(O)c1.
What is the InChIKey of 3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one?
The InChIKey is VSUYLKWLIDLWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-18(2)15-10-8-14(17(20)12-15)9-11-16(19)13-6-4-3-5-7-13/h3-12,20H,1-2H3.
What are the key properties of 3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one?
3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 172832773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).