[2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal

C19H23NO3 — CID 163239741

IUPAC[2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal
SMILESCCC=O.Cc1cc(O)ccc1C(=O)c1ccccc1N(C)C
InChIInChI=1S/C16H17NO2.C3H6O/c1-11-10-12(18)8-9-13(11)16(19)14-6-4-5-7-15(14)17(2)3;1-2-3-4/h4-10,18H,1-3H3;3H,2H2,1H3
InChIKeyBSUXWDAPJRHYSF-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.59
Rot. Bonds4

About [2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal

[2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal (PubChem CID 163239741) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is [2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal.

Molecular Properties

Compound Name[2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal
PubChem CID163239741
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name[2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal
SMILESCCC=O.Cc1cc(O)ccc1C(=O)c1ccccc1N(C)C
InChIInChI=1S/C16H17NO2.C3H6O/c1-11-10-12(18)8-9-13(11)16(19)14-6-4-5-7-15(14)17(2)3;1-2-3-4/h4-10,18H,1-3H3;3H,2H2,1H3
InChIKeyBSUXWDAPJRHYSF-UHFFFAOYSA-N
XLogP3.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chlorophenyl)-(4-hydroxy-2-methylphenyl)methanone
CID 86254780
N-[2-(dimethylamino)phenyl]-4-hydroxy-2-methylbenzamide
CID 103863654
[2-(dimethylamino)phenyl]-(2-fluorophenyl)methanone
CID 71536300
[2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene
CID 175307989
N,N-diethyl-4-hydroxy-2-methylbenzamide
CID 103863610
2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline
CID 87624044
azane;ethyl 2-(dimethylamino)benzoate
CID 70426390
phthalic acid;propanal
CID 160555514
(2E,6Z)-1-[2-(dimethylamino)phenyl]nona-2,6-dien-1-one
CID 71536567
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
4-hydroxy-2-methylbenzoyl chloride
CID 103689413
N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide
CID 103865726

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal?
The IUPAC name of [2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal (CID 163239741) is [2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal.
What is the SMILES notation for [2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal?
The canonical SMILES for [2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal is CCC=O.Cc1cc(O)ccc1C(=O)c1ccccc1N(C)C.
What is the InChIKey of [2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal?
The InChIKey is BSUXWDAPJRHYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.C3H6O/c1-11-10-12(18)8-9-13(11)16(19)14-6-4-5-7-15(14)17(2)3;1-2-3-4/h4-10,18H,1-3H3;3H,2H2,1H3.
What are the key properties of [2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal?
[2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal has a molecular weight of 313.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)phenyl]-(4-hydroxy-2-methylphenyl)methanone;propanal is sourced from PubChem (CID 163239741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).