1-(5-methylfuran-2-yl)-3-phenylpropan-1-one

C14H14O2 — CID 71336730

IUPAC1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
SMILESCc1ccc(C(=O)CCc2ccccc2)o1
InChIInChI=1S/C14H14O2/c1-11-7-10-14(16-11)13(15)9-8-12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3
InChIKeyYUBJFRMXXQBQDS-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.40
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-3-phenylpropan-1-one

1-(5-methylfuran-2-yl)-3-phenylpropan-1-one (PubChem CID 71336730) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
PubChem CID71336730
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
SMILESCc1ccc(C(=O)CCc2ccccc2)o1
InChIInChI=1S/C14H14O2/c1-11-7-10-14(16-11)13(15)9-8-12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3
InChIKeyYUBJFRMXXQBQDS-UHFFFAOYSA-N
XLogP3.40
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylfuran-2-yl)-2-phenylethanone
CID 4610358
1,5-bis(5-methylfuran-2-yl)pentane-1,5-dione;ethane
CID 144689486
1-[5-(aminomethyl)furan-2-yl]-3-phenylpropan-1-one
CID 116590055
3-chloro-1-(5-methylfuran-2-yl)propan-1-one
CID 116917885
3-[benzyl(tert-butyl)amino]-1-(5-methylfuran-2-yl)propan-1-one
CID 46232326
1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024085
5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid
CID 106946853
1-(5-methylfuran-2-yl)undecan-1-one
CID 114968847
1-(5-methylfuran-2-yl)hex-5-yn-1-one
CID 115798391
3-methyl-1-(5-methylfuran-2-yl)pentan-1-one
CID 114874036
1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one
CID 67793619
1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanone
CID 61054883

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(5-methylfuran-2-yl)-3-phenylpropan-1-one (CID 71336730) is 1-(5-methylfuran-2-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(5-methylfuran-2-yl)-3-phenylpropan-1-one is Cc1ccc(C(=O)CCc2ccccc2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-3-phenylpropan-1-one?
The InChIKey is YUBJFRMXXQBQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-11-7-10-14(16-11)13(15)9-8-12-5-3-2-4-6-12/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-3-phenylpropan-1-one?
1-(5-methylfuran-2-yl)-3-phenylpropan-1-one has a molecular weight of 214.26 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 71336730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).