[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone

C30H29NO4 — CID 159812426

IUPAC[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
SMILESCN(C)CCOc1ccc(C(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C17H19NO2.C13H10O2/c1-18(2)12-13-20-16-10-8-15(9-11-16)17(19)14-6-4-3-5-7-14;14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h3-11H,12-13H2,1-2H3;1-9,14H
InChIKeyNLESTWHKVFIPTH-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.48
Rot. Bonds8

About [4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone

[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone (PubChem CID 159812426) has the molecular formula C30H29NO4 and a molecular weight of 467.57 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
PubChem CID159812426
Molecular FormulaC30H29NO4
Molecular Weight467.57 g/mol
Exact Mass467.21
IUPAC Name[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
SMILESCN(C)CCOc1ccc(C(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C17H19NO2.C13H10O2/c1-18(2)12-13-20-16-10-8-15(9-11-16)17(19)14-6-4-3-5-7-14;14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h3-11H,12-13H2,1-2H3;1-9,14H
InChIKeyNLESTWHKVFIPTH-UHFFFAOYSA-N
XLogP5.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone
CID 19760990
[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
CID 3019350
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide
CID 42603085
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
[4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone
CID 13362185
[3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone
CID 90670612
[4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] acetate
CID 6263876
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenylmethoxyphenyl)but-1-enyl]phenol
CID 70684715
(Z)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylprop-2-en-1-ol
CID 57407502
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]but-1-enyl]phenol
CID 18988705

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone?
The IUPAC name of [4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone (CID 159812426) is [4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone?
The canonical SMILES for [4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone is CN(C)CCOc1ccc(C(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of [4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone?
The InChIKey is NLESTWHKVFIPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.C13H10O2/c1-18(2)12-13-20-16-10-8-15(9-11-16)17(19)14-6-4-3-5-7-14;14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h3-11H,12-13H2,1-2H3;1-9,14H.
What are the key properties of [4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone?
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone has a molecular weight of 467.57 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone is sourced from PubChem (CID 159812426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).