(Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one

C23H20O5 — CID 142707866

IUPAC(Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(/C(O)=C/C(=O)c2c(O)cccc2OCc2ccccc2)c1
InChIInChI=1S/C23H20O5/c1-27-18-10-5-9-17(13-18)20(25)14-21(26)23-19(24)11-6-12-22(23)28-15-16-7-3-2-4-8-16/h2-14,24-25H,15H2,1H3/b20-14-
InChIKeyGFERIXHDKKMQPI-ZHZULCJRSA-N
MW376.41 g/mol
LogP4.76
Rot. Bonds7

About (Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one

(Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one (PubChem CID 142707866) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is (Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
PubChem CID142707866
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name(Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(/C(O)=C/C(=O)c2c(O)cccc2OCc2ccccc2)c1
InChIInChI=1S/C23H20O5/c1-27-18-10-5-9-17(13-18)20(25)14-21(26)23-19(24)11-6-12-22(23)28-15-16-7-3-2-4-8-16/h2-14,24-25H,15H2,1H3/b20-14-
InChIKeyGFERIXHDKKMQPI-ZHZULCJRSA-N
XLogP4.76
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one (CID 142707866) is (Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one is COc1cccc(/C(O)=C/C(=O)c2c(O)cccc2OCc2ccccc2)c1.
What is the InChIKey of (Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
The InChIKey is GFERIXHDKKMQPI-ZHZULCJRSA-N. The full InChI is InChI=1S/C23H20O5/c1-27-18-10-5-9-17(13-18)20(25)14-21(26)23-19(24)11-6-12-22(23)28-15-16-7-3-2-4-8-16/h2-14,24-25H,15H2,1H3/b20-14-.
What are the key properties of (Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one?
(Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one has a molecular weight of 376.41 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 142707866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).