(E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one

C20H23NO4 — CID 6386019

IUPAC(E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(OC)c(C(=O)/C=C/c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H23NO4/c1-21(2)15-9-6-14(7-10-15)8-11-17(22)20-18(24-4)12-16(23-3)13-19(20)25-5/h6-13H,1-5H3/b11-8+
InChIKeyVPSSTEFJODQSHX-DHZHZOJOSA-N
MW341.41 g/mol
LogP3.67
Rot. Bonds7

About (E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one

(E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 6386019) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
PubChem CID6386019
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(OC)c(C(=O)/C=C/c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H23NO4/c1-21(2)15-9-6-14(7-10-15)8-11-17(22)20-18(24-4)12-16(23-3)13-19(20)25-5/h6-13H,1-5H3/b11-8+
InChIKeyVPSSTEFJODQSHX-DHZHZOJOSA-N
XLogP3.67
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one (CID 6386019) is (E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one is COc1cc(OC)c(C(=O)/C=C/c2ccc(N(C)C)cc2)c(OC)c1.
What is the InChIKey of (E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is VPSSTEFJODQSHX-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H23NO4/c1-21(2)15-9-6-14(7-10-15)8-11-17(22)20-18(24-4)12-16(23-3)13-19(20)25-5/h6-13H,1-5H3/b11-8+.
What are the key properties of (E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one?
(E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 341.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(dimethylamino)phenyl]-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 6386019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).