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

C27H25NO5 — CID 129174871

IUPAC1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(4-pyridin-3-ylphenyl)ethanone
SMILESCOc1cc(-c2ccc(C(=O)C(OC)c3ccc(-c4cccnc4)cc3)o2)cc(OC)c1C
InChIInChI=1S/C27H25NO5/c1-17-24(30-2)14-21(15-25(17)31-3)22-11-12-23(33-22)26(29)27(32-4)19-9-7-18(8-10-19)20-6-5-13-28-16-20/h5-16,27H,1-4H3
InChIKeyJGKFJEWWKSPTSJ-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.90
Rot. Bonds8

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

1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(4-pyridin-3-ylphenyl)ethanone (PubChem CID 129174871) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(4-pyridin-3-ylphenyl)ethanone.

Molecular Properties

Compound Name1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(4-pyridin-3-ylphenyl)ethanone
PubChem CID129174871
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(4-pyridin-3-ylphenyl)ethanone
SMILESCOc1cc(-c2ccc(C(=O)C(OC)c3ccc(-c4cccnc4)cc3)o2)cc(OC)c1C
InChIInChI=1S/C27H25NO5/c1-17-24(30-2)14-21(15-25(17)31-3)22-11-12-23(33-22)26(29)27(32-4)19-9-7-18(8-10-19)20-6-5-13-28-16-20/h5-16,27H,1-4H3
InChIKeyJGKFJEWWKSPTSJ-UHFFFAOYSA-N
XLogP5.90
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-[4-(triazol-1-yl)phenyl]ethanone
CID 129174870
(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
ethanimidoyl 4-[2-[5-(3-bromo-4,5-dimethoxyphenyl)furan-2-yl]-1-methoxy-2-oxoethyl]benzenecarboximidate
CID 138636361
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
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
3-(2-methoxyphenyl)pyridine
CID 4133297
4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59672655
2-amino-2-(4-pyridin-3-ylphenyl)acetic acid
CID 77129112
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 55780169

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(4-pyridin-3-ylphenyl)ethanone?
The IUPAC name of 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(4-pyridin-3-ylphenyl)ethanone (CID 129174871) is 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(4-pyridin-3-ylphenyl)ethanone.
What is the SMILES notation for 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(4-pyridin-3-ylphenyl)ethanone?
The canonical SMILES for 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(4-pyridin-3-ylphenyl)ethanone is COc1cc(-c2ccc(C(=O)C(OC)c3ccc(-c4cccnc4)cc3)o2)cc(OC)c1C.
What is the InChIKey of 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(4-pyridin-3-ylphenyl)ethanone?
The InChIKey is JGKFJEWWKSPTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-17-24(30-2)14-21(15-25(17)31-3)22-11-12-23(33-22)26(29)27(32-4)19-9-7-18(8-10-19)20-6-5-13-28-16-20/h5-16,27H,1-4H3.
What are the key properties of 1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(4-pyridin-3-ylphenyl)ethanone?
1-[5-(3,5-dimethoxy-4-methylphenyl)furan-2-yl]-2-methoxy-2-(4-pyridin-3-ylphenyl)ethanone has a molecular weight of 443.50 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 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-pyridin-3-ylphenyl)ethanone is sourced from PubChem (CID 129174871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).