3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one

C16H18O3 — CID 105097418

IUPAC3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1ccc(C(=O)CCc2ccco2)cc1
InChIInChI=1S/C16H18O3/c1-12(2)19-15-7-5-13(6-8-15)16(17)10-9-14-4-3-11-18-14/h3-8,11-12H,9-10H2,1-2H3
InChIKeyACNALQVURBHCSF-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.88
Rot. Bonds6

About 3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one

3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one (PubChem CID 105097418) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one
PubChem CID105097418
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1ccc(C(=O)CCc2ccco2)cc1
InChIInChI=1S/C16H18O3/c1-12(2)19-15-7-5-13(6-8-15)16(17)10-9-14-4-3-11-18-14/h3-8,11-12H,9-10H2,1-2H3
InChIKeyACNALQVURBHCSF-UHFFFAOYSA-N
XLogP3.88
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100877
4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 98014339
1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 2170743
1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105097435
4-amino-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 82341479
3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097425
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-one
CID 105095849
1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one
CID 105098345
1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105095139
N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 119128983
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810
4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 105097430

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one (CID 105097418) is 3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one is CC(C)Oc1ccc(C(=O)CCc2ccco2)cc1.
What is the InChIKey of 3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one?
The InChIKey is ACNALQVURBHCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-12(2)19-15-7-5-13(6-8-15)16(17)10-9-14-4-3-11-18-14/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one?
3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one has a molecular weight of 258.32 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 105097418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).