1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one

C18H22O2 — CID 63498003

IUPAC1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one
SMILESCCc1ccc(C(=O)C(c2ccccc2)C(C)CC)o1
InChIInChI=1S/C18H22O2/c1-4-13(3)17(14-9-7-6-8-10-14)18(19)16-12-11-15(5-2)20-16/h6-13,17H,4-5H2,1-3H3
InChIKeySWCVCFCMIIUTNN-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.85
Rot. Bonds6

About 1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one

1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one (PubChem CID 63498003) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one
PubChem CID63498003
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one
SMILESCCc1ccc(C(=O)C(c2ccccc2)C(C)CC)o1
InChIInChI=1S/C18H22O2/c1-4-13(3)17(14-9-7-6-8-10-14)18(19)16-12-11-15(5-2)20-16/h6-13,17H,4-5H2,1-3H3
InChIKeySWCVCFCMIIUTNN-UHFFFAOYSA-N
XLogP4.85
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 61143786
3-methyl-2-phenyl-1-(1H-pyrrol-2-yl)pentan-1-one
CID 63750151
5-ethyl-N-(2-hydroxy-2-phenylethyl)furan-2-carboxamide
CID 43427837
1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one
CID 102652750
3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351348
5-methyl-4-phenylhept-1-yn-3-one
CID 114978498
3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one
CID 63927480
N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113272304
N-(2-chloro-2-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113271401
2-(5-ethylfuran-2-carbonyl)-3-methylbutanenitrile
CID 79094932
1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one
CID 62078829
3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 114972283

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one?
The IUPAC name of 1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one (CID 63498003) is 1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one is CCc1ccc(C(=O)C(c2ccccc2)C(C)CC)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one?
The InChIKey is SWCVCFCMIIUTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-13(3)17(14-9-7-6-8-10-14)18(19)16-12-11-15(5-2)20-16/h6-13,17H,4-5H2,1-3H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one?
1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one has a molecular weight of 270.37 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one is sourced from PubChem (CID 63498003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).