(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one

C23H20O4 — CID 15887380

IUPAC(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)c(O)c1
InChIInChI=1S/C23H20O4/c1-26-19-12-13-20(22(25)15-19)21(24)14-11-18-9-5-6-10-23(18)27-16-17-7-3-2-4-8-17/h2-15,25H,16H2,1H3/b14-11+
InChIKeyZHCXAOZRMGROSE-SDNWHVSQSA-N
MW360.41 g/mol
LogP4.88
Rot. Bonds7

About (E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one

(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one (PubChem CID 15887380) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one
PubChem CID15887380
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)c(O)c1
InChIInChI=1S/C23H20O4/c1-26-19-12-13-20(22(25)15-19)21(24)14-11-18-9-5-6-10-23(18)27-16-17-7-3-2-4-8-17/h2-15,25H,16H2,1H3/b14-11+
InChIKeyZHCXAOZRMGROSE-SDNWHVSQSA-N
XLogP4.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.88
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one (CID 15887380) is (E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one is COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)c(O)c1.
What is the InChIKey of (E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one?
The InChIKey is ZHCXAOZRMGROSE-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H20O4/c1-26-19-12-13-20(22(25)15-19)21(24)14-11-18-9-5-6-10-23(18)27-16-17-7-3-2-4-8-17/h2-15,25H,16H2,1H3/b14-11+.
What are the key properties of (E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one?
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one has a molecular weight of 360.41 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 15887380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).