furan-3-yl-(4-methoxy-2-methylphenyl)methanone

C13H12O3 — CID 65313451

IUPACfuran-3-yl-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccoc2)c(C)c1
InChIInChI=1S/C13H12O3/c1-9-7-11(15-2)3-4-12(9)13(14)10-5-6-16-8-10/h3-8H,1-2H3
InChIKeyFQPXYNHLVLFEIZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.83
Rot. Bonds3

About furan-3-yl-(4-methoxy-2-methylphenyl)methanone

furan-3-yl-(4-methoxy-2-methylphenyl)methanone (PubChem CID 65313451) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is furan-3-yl-(4-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Namefuran-3-yl-(4-methoxy-2-methylphenyl)methanone
PubChem CID65313451
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Namefuran-3-yl-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccoc2)c(C)c1
InChIInChI=1S/C13H12O3/c1-9-7-11(15-2)3-4-12(9)13(14)10-5-6-16-8-10/h3-8H,1-2H3
InChIKeyFQPXYNHLVLFEIZ-UHFFFAOYSA-N
XLogP2.83
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
furan-3-yl-(5-methylfuran-3-yl)methanone
CID 114971729
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
(2-bromo-3,4-difluorophenyl)-(4-methoxy-2-methylphenyl)methanone
CID 107537932
(4-methoxy-2-trimethylsilyloxyphenyl)-(4-methylphenyl)methanone
CID 91741601
(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819430
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 55196391
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-(4-methoxy-2-methylphenyl)methanone?
The IUPAC name of furan-3-yl-(4-methoxy-2-methylphenyl)methanone (CID 65313451) is furan-3-yl-(4-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for furan-3-yl-(4-methoxy-2-methylphenyl)methanone?
The canonical SMILES for furan-3-yl-(4-methoxy-2-methylphenyl)methanone is COc1ccc(C(=O)c2ccoc2)c(C)c1.
What is the InChIKey of furan-3-yl-(4-methoxy-2-methylphenyl)methanone?
The InChIKey is FQPXYNHLVLFEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-9-7-11(15-2)3-4-12(9)13(14)10-5-6-16-8-10/h3-8H,1-2H3.
What are the key properties of furan-3-yl-(4-methoxy-2-methylphenyl)methanone?
furan-3-yl-(4-methoxy-2-methylphenyl)methanone has a molecular weight of 216.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(4-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 65313451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).