(E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one

C27H28O8 — CID 143913926

IUPAC(E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(/C=C/C(=O)c2c(O)c(OC)c(OC)c(OC)c2OC)ccc1OCc1ccccc1
InChIInChI=1S/C27H28O8/c1-30-21-15-17(12-14-20(21)35-16-18-9-7-6-8-10-18)11-13-19(28)22-23(29)25(32-3)27(34-5)26(33-4)24(22)31-2/h6-15,29H,16H2,1-5H3/b13-11+
InChIKeyNOUUIZDKTLCLHO-ACCUITESSA-N
MW480.51 g/mol
LogP4.91
Rot. Bonds11

About (E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one

(E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one (PubChem CID 143913926) has the molecular formula C27H28O8 and a molecular weight of 480.51 g/mol. Its IUPAC name is (E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
PubChem CID143913926
Molecular FormulaC27H28O8
Molecular Weight480.51 g/mol
Exact Mass480.18
IUPAC Name(E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(/C=C/C(=O)c2c(O)c(OC)c(OC)c(OC)c2OC)ccc1OCc1ccccc1
InChIInChI=1S/C27H28O8/c1-30-21-15-17(12-14-20(21)35-16-18-9-7-6-8-10-18)11-13-19(28)22-23(29)25(32-3)27(34-5)26(33-4)24(22)31-2/h6-15,29H,16H2,1-5H3/b13-11+
InChIKeyNOUUIZDKTLCLHO-ACCUITESSA-N
XLogP4.91
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[2,4-dimethoxy-3,6-bis(phenylmethoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 10816288
(E)-3-[3,4-bis(phenylmethoxy)phenyl]-1-[2-hydroxy-3,4,6-tris(phenylmethoxy)phenyl](113C)prop-2-en-1-one
CID 101023378
(E)-N-benzyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188981
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-one
CID 12681944
(E)-N-cyclopentyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 51058234
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854073
(E)-N-cyclohexyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188929
N-[4-(3-methoxy-4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine
CID 739210
(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188946
(E)-1-(6-hydroxy-2,3-dimethoxy-4-phenylmethoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 134867863
3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enehydrazide
CID 131849552

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one (CID 143913926) is (E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one is COc1cc(/C=C/C(=O)c2c(O)c(OC)c(OC)c(OC)c2OC)ccc1OCc1ccccc1.
What is the InChIKey of (E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one?
The InChIKey is NOUUIZDKTLCLHO-ACCUITESSA-N. The full InChI is InChI=1S/C27H28O8/c1-30-21-15-17(12-14-20(21)35-16-18-9-7-6-8-10-18)11-13-19(28)22-23(29)25(32-3)27(34-5)26(33-4)24(22)31-2/h6-15,29H,16H2,1-5H3/b13-11+.
What are the key properties of (E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one?
(E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one has a molecular weight of 480.51 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 143913926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).