[2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol

C29H37NO4 — CID 160638651

IUPAC[2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(OCCO)cc1.CCN(CC)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H19NO.C12H18O3/c1-3-18(4-2)16-13-9-8-12-15(16)17(19)14-10-6-5-7-11-14;1-12(2,14)9-10-3-5-11(6-4-10)15-8-7-13/h5-13H,3-4H2,1-2H3;3-6,13-14H,7-9H2,1-2H3
InChIKeyRIWKETTXNNWUCK-UHFFFAOYSA-N
MW463.62 g/mol
LogP5.13
Rot. Bonds10

About [2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol

[2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol (PubChem CID 160638651) has the molecular formula C29H37NO4 and a molecular weight of 463.62 g/mol. Its IUPAC name is [2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name[2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol
PubChem CID160638651
Molecular FormulaC29H37NO4
Molecular Weight463.62 g/mol
Exact Mass463.27
IUPAC Name[2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(OCCO)cc1.CCN(CC)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H19NO.C12H18O3/c1-3-18(4-2)16-13-9-8-12-15(16)17(19)14-10-6-5-7-11-14;1-12(2,14)9-10-3-5-11(6-4-10)15-8-7-13/h5-13H,3-4H2,1-2H3;3-6,13-14H,7-9H2,1-2H3
InChIKeyRIWKETTXNNWUCK-UHFFFAOYSA-N
XLogP5.13
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 90092001
[4-(2-hydroxyethoxy)phenyl]-(2-hydroxyphenyl)methanone
CID 139738783
2-[2-(diethylamino)benzoyl]benzoic acid
CID 151183453
[2-[2-(diethylamino)phenyl]phenyl]-phenylmethanone
CID 150978670
2-benzyl-2-(dimethylamino)-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one;methane
CID 158870745
[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
CID 58184911
1,7-dihydroxy-3,5-bis[[4-(2-hydroxyethoxy)phenyl]methyl]-3,5-dimethylheptan-4-one
CID 121317732
N-acetyl-N-(2-benzoylphenyl)acetamide
CID 23206661
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 79387122
2-(2-benzoylanilino)-3-[4-[2-[2,2-dimethylpropanoyl(ethyl)amino]ethoxy]phenyl]propanoic acid
CID 69127288
[2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine
CID 20536957
2-(4-propoxyphenyl)benzoic acid
CID 62802761

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol?
The IUPAC name of [2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol (CID 160638651) is [2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol.
What is the SMILES notation for [2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol?
The canonical SMILES for [2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol is CC(C)(O)Cc1ccc(OCCO)cc1.CCN(CC)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol?
The InChIKey is RIWKETTXNNWUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.C12H18O3/c1-3-18(4-2)16-13-9-8-12-15(16)17(19)14-10-6-5-7-11-14;1-12(2,14)9-10-3-5-11(6-4-10)15-8-7-13/h5-13H,3-4H2,1-2H3;3-6,13-14H,7-9H2,1-2H3.
What are the key properties of [2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol?
[2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol has a molecular weight of 463.62 g/mol, XLogP of 5.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 160638651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).