(E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol

C19H23NO4 — CID 3004380

IUPAC(E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol
SMILESCN/C=C(\c1ccc(OC)cc1)C(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23NO4/c1-20-12-16(13-5-8-15(22-2)9-6-13)19(21)14-7-10-17(23-3)18(11-14)24-4/h5-12,19-21H,1-4H3/b16-12+
InChIKeyUGLPTDGOQCOHRD-FOWTUZBSSA-N
MW329.40 g/mol
LogP3.01
Rot. Bonds7

About (E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol

(E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol (PubChem CID 3004380) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol
PubChem CID3004380
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol
SMILESCN/C=C(\c1ccc(OC)cc1)C(O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23NO4/c1-20-12-16(13-5-8-15(22-2)9-6-13)19(21)14-7-10-17(23-3)18(11-14)24-4/h5-12,19-21H,1-4H3/b16-12+
InChIKeyUGLPTDGOQCOHRD-FOWTUZBSSA-N
XLogP3.01
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(Z)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 19421512
(E)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 67731475
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
2,3-dibromo-1-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 3903581
4-[(1R,2R)-2-bromo-1-(4-methoxyphenyl)propyl]-1,2-dimethoxybenzene
CID 134940292
1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
CID 110830006
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)hydrazine
CID 67614674
(1R,2S)-1-amino-1-(3,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160772
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol?
The IUPAC name of (E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol (CID 3004380) is (E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol.
What is the SMILES notation for (E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol?
The canonical SMILES for (E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol is CN/C=C(\c1ccc(OC)cc1)C(O)c1ccc(OC)c(OC)c1.
What is the InChIKey of (E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol?
The InChIKey is UGLPTDGOQCOHRD-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H23NO4/c1-20-12-16(13-5-8-15(22-2)9-6-13)19(21)14-7-10-17(23-3)18(11-14)24-4/h5-12,19-21H,1-4H3/b16-12+.
What are the key properties of (E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol?
(E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol has a molecular weight of 329.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol is sourced from PubChem (CID 3004380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).