5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one

C19H16O5 — CID 54261202

IUPAC5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one
SMILESCOc1cc(C=Cc2ccc(O)cc2)c2c(OC)cc(=O)oc2c1
InChIInChI=1S/C19H16O5/c1-22-15-9-13(6-3-12-4-7-14(20)8-5-12)19-16(23-2)11-18(21)24-17(19)10-15/h3-11,20H,1-2H3
InChIKeyRDPUQEDAFZNDBT-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.69
Rot. Bonds4

About 5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one

5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one (PubChem CID 54261202) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one.

Molecular Properties

Compound Name5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one
PubChem CID54261202
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one
SMILESCOc1cc(C=Cc2ccc(O)cc2)c2c(OC)cc(=O)oc2c1
InChIInChI=1S/C19H16O5/c1-22-15-9-13(6-3-12-4-7-14(20)8-5-12)19-16(23-2)11-18(21)24-17(19)10-15/h3-11,20H,1-2H3
InChIKeyRDPUQEDAFZNDBT-UHFFFAOYSA-N
XLogP3.69
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-dihydroxy-7-methoxychromen-2-one
CID 82371903
5,7-dimethoxy-2-[2-(4-methoxyphenyl)ethenyl]chromen-4-one
CID 74927743
4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one
CID 57325500
2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one
CID 74927684
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one
CID 46845156
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one
CID 46887465
4-[2-[2-[2-(3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)ethyl]-3,5-dimethoxyphenyl]ethenyl]phenol
CID 162879563
4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one
CID 15092135
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-2-methylphenyl]ethenyl]phenol
CID 101050457
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-hydroxychromen-2-one
CID 15683779
4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol
CID 58288557

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one?
The IUPAC name of 5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one (CID 54261202) is 5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one.
What is the SMILES notation for 5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one?
The canonical SMILES for 5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one is COc1cc(C=Cc2ccc(O)cc2)c2c(OC)cc(=O)oc2c1.
What is the InChIKey of 5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one?
The InChIKey is RDPUQEDAFZNDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-22-15-9-13(6-3-12-4-7-14(20)8-5-12)19-16(23-2)11-18(21)24-17(19)10-15/h3-11,20H,1-2H3.
What are the key properties of 5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one?
5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one has a molecular weight of 324.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxyphenyl)ethenyl]-4,7-dimethoxychromen-2-one is sourced from PubChem (CID 54261202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).