methyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate

C25H18O5 — CID 6812295

IUPACmethyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(C=Cc2oc3cc(O)ccc3c(=O)c2-c2ccccc2)cc1
InChIInChI=1S/C25H18O5/c1-29-25(28)18-10-7-16(8-11-18)9-14-21-23(17-5-3-2-4-6-17)24(27)20-13-12-19(26)15-22(20)30-21/h2-15,26H,1H3
InChIKeyFCZJFFJPOCPNMD-UHFFFAOYSA-N
MW398.41 g/mol
LogP5.12
Rot. Bonds4

About methyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate

methyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate (PubChem CID 6812295) has the molecular formula C25H18O5 and a molecular weight of 398.41 g/mol. Its IUPAC name is methyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate
PubChem CID6812295
Molecular FormulaC25H18O5
Molecular Weight398.41 g/mol
Exact Mass398.12
IUPAC Namemethyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate
SMILESCOC(=O)c1ccc(C=Cc2oc3cc(O)ccc3c(=O)c2-c2ccccc2)cc1
InChIInChI=1S/C25H18O5/c1-29-25(28)18-10-7-16(8-11-18)9-14-21-23(17-5-3-2-4-6-17)24(27)20-13-12-19(26)15-22(20)30-21/h2-15,26H,1H3
InChIKeyFCZJFFJPOCPNMD-UHFFFAOYSA-N
XLogP5.12
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.41
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(E)-2-(6-fluoro-3-methyl-4-oxochromen-2-yl)ethenyl]benzoate
CID 2120093
methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate
CID 26216445
methyl 4-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]benzoate
CID 5468975
8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one
CID 159926882
4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556
methyl 4-[(Z)-2-[[dimethyl(phenyl)silyl]-dimethylsilyl]ethenyl]benzoate
CID 177394949
7-hydroxy-2-methyl-3-(2-phenylphenoxy)chromen-4-one
CID 7140080
3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one
CID 174928168
ethyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromene-2-carboxylate
CID 15486887
3-[4-[7-hydroxy-3-(4-hydroxyphenyl)-2-oxochromen-4-yl]phenyl]prop-2-enoic acid
CID 75253392
7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one
CID 5408165
methyl 4-[(E)-3-(6-hydroxy-2-oxochromen-3-yl)-3-oxoprop-1-enyl]benzoate
CID 72707590

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate?
The IUPAC name of methyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate (CID 6812295) is methyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate.
What is the SMILES notation for methyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate?
The canonical SMILES for methyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate is COC(=O)c1ccc(C=Cc2oc3cc(O)ccc3c(=O)c2-c2ccccc2)cc1.
What is the InChIKey of methyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate?
The InChIKey is FCZJFFJPOCPNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O5/c1-29-25(28)18-10-7-16(8-11-18)9-14-21-23(17-5-3-2-4-6-17)24(27)20-13-12-19(26)15-22(20)30-21/h2-15,26H,1H3.
What are the key properties of methyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate?
methyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate has a molecular weight of 398.41 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(7-hydroxy-4-oxo-3-phenylchromen-2-yl)ethenyl]benzoate is sourced from PubChem (CID 6812295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).