1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone

C24H23N3O5 — CID 129174870

IUPAC1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone
SMILESCOc1cc(-c2ccc(C(=O)C(OC)c3ccc(-n4ccnn4)cc3)o2)cc(OC)c1C
InChIInChI=1S/C24H23N3O5/c1-15-21(29-2)13-17(14-22(15)30-3)19-9-10-20(32-19)23(28)24(31-4)16-5-7-18(8-6-16)27-12-11-25-26-27/h5-14,24H,1-4H3
InChIKeyFRGIVONIHSANJK-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.42
Rot. Bonds8

About 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone

1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone (PubChem CID 129174870) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone
PubChem CID129174870
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone
SMILESCOc1cc(-c2ccc(C(=O)C(OC)c3ccc(-n4ccnn4)cc3)o2)cc(OC)c1C
InChIInChI=1S/C24H23N3O5/c1-15-21(29-2)13-17(14-22(15)30-3)19-9-10-20(32-19)23(28)24(31-4)16-5-7-18(8-6-16)27-12-11-25-26-27/h5-14,24H,1-4H3
InChIKeyFRGIVONIHSANJK-UHFFFAOYSA-N
XLogP4.42
TPSA88.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(4-pyridin-3-ylphenyl)ethanone
CID 129174871
(2S)-1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]ethanone
CID 118683115
1-[5-(4-chloro-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanone
CID 53378117
N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;2-(4-fluoro-3,5-dimethoxyphenyl)furan;1-[5-(4-fluoro-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone
CID 158593804
2-(4-bromo-3,5-dimethoxyphenyl)furan;1-[5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
CID 158502928
ethanimidoyl 4-[2-[5-(3-bromo-4,5-dimethoxyphenyl)furan-2-yl]-1-methoxy-2-oxoethyl]benzenecarboximidate
CID 138636361
[2,6-dimethoxy-4-[5-[2-methoxy-2-(4-morpholin-4-ylphenyl)acetyl]furan-2-yl]phenyl] benzoate;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide;[4-(furan-2-yl)-2,6-dimethoxyphenyl] benzoate
CID 162071379
ethanimidoyl 4-[2-[5-(4-chloro-3,5-dimethoxyphenyl)furan-2-yl]-1-ethoxy-2-oxoethyl]benzenecarboximidate
CID 137448321
5-[4-(triazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117393453
6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 174718958
(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide
CID 120873593
2-methyl-5-(triazol-1-yl)benzoic acid
CID 84671343

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone (CID 129174870) is 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone is COc1cc(-c2ccc(C(=O)C(OC)c3ccc(-n4ccnn4)cc3)o2)cc(OC)c1C.
What is the InChIKey of 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone?
The InChIKey is FRGIVONIHSANJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-15-21(29-2)13-17(14-22(15)30-3)19-9-10-20(32-19)23(28)24(31-4)16-5-7-18(8-6-16)27-12-11-25-26-27/h5-14,24H,1-4H3.
What are the key properties of 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone?
1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone has a molecular weight of 433.46 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 129174870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).