(E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one

C22H18O4 — CID 44587607

IUPAC(E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1/C=C/C(=O)c1cccc(Oc2cccc(O)c2)c1
InChIInChI=1S/C22H18O4/c1-25-22-11-3-2-6-16(22)12-13-21(24)17-7-4-9-19(14-17)26-20-10-5-8-18(23)15-20/h2-15,23H,1H3/b13-12+
InChIKeyWXHMYECHLCAJTI-OUKQBFOZSA-N
MW346.38 g/mol
LogP5.09
Rot. Bonds6

About (E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one

(E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one (PubChem CID 44587607) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is (E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one
PubChem CID44587607
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name(E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1/C=C/C(=O)c1cccc(Oc2cccc(O)c2)c1
InChIInChI=1S/C22H18O4/c1-25-22-11-3-2-6-16(22)12-13-21(24)17-7-4-9-19(14-17)26-20-10-5-8-18(23)15-20/h2-15,23H,1H3/b13-12+
InChIKeyWXHMYECHLCAJTI-OUKQBFOZSA-N
XLogP5.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
(E)-1-(3-hydroxyphenyl)-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 35789245
ethyl 5-[3-[3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]-1,2-dimethylindole-3-carboxylate
CID 175423520
(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 6262995
1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 67385176
(E)-1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 47241616
(E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one
CID 70016951
2-[2-methoxy-4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 9448707
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2,6-dimethoxybenzoate
CID 3498257
[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate
CID 102475466
(E)-3-(4,5-dimethoxy-2-nitrophenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 9448255

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one (CID 44587607) is (E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one is COc1ccccc1/C=C/C(=O)c1cccc(Oc2cccc(O)c2)c1.
What is the InChIKey of (E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one?
The InChIKey is WXHMYECHLCAJTI-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H18O4/c1-25-22-11-3-2-6-16(22)12-13-21(24)17-7-4-9-19(14-17)26-20-10-5-8-18(23)15-20/h2-15,23H,1H3/b13-12+.
What are the key properties of (E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one?
(E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one has a molecular weight of 346.38 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(3-hydroxyphenoxy)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 44587607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).