4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one

C20H18O5 — CID 46845156

IUPAC4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one
SMILESCOc1cc(/C=C/c2cc(=O)oc3cc(OC)ccc23)cc(OC)c1
InChIInChI=1S/C20H18O5/c1-22-15-6-7-18-14(10-20(21)25-19(18)12-15)5-4-13-8-16(23-2)11-17(9-13)24-3/h4-12H,1-3H3/b5-4+
InChIKeyVKOBHYDBWDMYKC-SNAWJCMRSA-N
MW338.36 g/mol
LogP3.99
Rot. Bonds5

About 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one

4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one (PubChem CID 46845156) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one.

Molecular Properties

Compound Name4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one
PubChem CID46845156
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one
SMILESCOc1cc(/C=C/c2cc(=O)oc3cc(OC)ccc23)cc(OC)c1
InChIInChI=1S/C20H18O5/c1-22-15-6-7-18-14(10-20(21)25-19(18)12-15)5-4-13-8-16(23-2)11-17(9-13)24-3/h4-12H,1-3H3/b5-4+
InChIKeyVKOBHYDBWDMYKC-SNAWJCMRSA-N
XLogP3.99
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one
CID 46887465
4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one
CID 15092135
4-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]-7-methoxychromen-2-one
CID 11324403
7-[2-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]ethoxy]-4-methylchromen-2-one
CID 171118238
[2-oxo-4-(2-phenylethenyl)chromen-7-yl] acetate
CID 91605993
7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one
CID 177413343
4-[(Z)-4-chrysen-1-ylbut-1-enyl]-7-methoxychromen-2-one
CID 144983859
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
7-methoxy-4-(trifluoromethyl)chromen-2-one
CID 688586
7-[(E)-2-(4-methoxyphenyl)ethenyl]-4-propan-2-ylchromen-2-one
CID 178110195
1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
4-methoxy-6-[(E)-2-[4-[(E)-2-(4-methoxy-6-oxopyran-2-yl)ethenyl]phenyl]ethenyl]pyran-2-one
CID 57325500

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one?
The IUPAC name of 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one (CID 46845156) is 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one.
What is the SMILES notation for 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one?
The canonical SMILES for 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one is COc1cc(/C=C/c2cc(=O)oc3cc(OC)ccc23)cc(OC)c1.
What is the InChIKey of 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one?
The InChIKey is VKOBHYDBWDMYKC-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H18O5/c1-22-15-6-7-18-14(10-20(21)25-19(18)12-15)5-4-13-8-16(23-2)11-17(9-13)24-3/h4-12H,1-3H3/b5-4+.
What are the key properties of 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one?
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one has a molecular weight of 338.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one is sourced from PubChem (CID 46845156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).