(E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

C22H20O4 — CID 6214478

IUPAC(E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(C(=O)/C=C/c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C22H20O4/c1-24-20-13-18(14-21(25-2)22(20)26-3)19(23)11-9-15-8-10-16-6-4-5-7-17(16)12-15/h4-14H,1-3H3/b11-9+
InChIKeyGNRAEXLCGFMDGE-PKNBQFBNSA-N
MW348.40 g/mol
LogP4.76
Rot. Bonds6

About (E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

(E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 6214478) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
PubChem CID6214478
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name(E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(C(=O)/C=C/c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C22H20O4/c1-24-20-13-18(14-21(25-2)22(20)26-3)19(23)11-9-15-8-10-16-6-4-5-7-17(16)12-15/h4-14H,1-3H3/b11-9+
InChIKeyGNRAEXLCGFMDGE-PKNBQFBNSA-N
XLogP4.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CID 6214478) is (E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is COc1cc(C(=O)/C=C/c2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of (E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is GNRAEXLCGFMDGE-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H20O4/c1-24-20-13-18(14-21(25-2)22(20)26-3)19(23)11-9-15-8-10-16-6-4-5-7-17(16)12-15/h4-14H,1-3H3/b11-9+.
What are the key properties of (E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
(E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 348.40 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-2-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 6214478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).