(5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone

C16H18O3 — CID 114971031

IUPAC(5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(CC)o2)cc1
InChIInChI=1S/C16H18O3/c1-3-11-18-14-7-5-12(6-8-14)16(17)15-10-9-13(4-2)19-15/h5-10H,3-4,11H2,1-2H3
InChIKeyMOHQFBPQQFOCHF-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.86
Rot. Bonds6

About (5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone

(5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone (PubChem CID 114971031) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone
PubChem CID114971031
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(CC)o2)cc1
InChIInChI=1S/C16H18O3/c1-3-11-18-14-7-5-12(6-8-14)16(17)15-10-9-13(4-2)19-15/h5-10H,3-4,11H2,1-2H3
InChIKeyMOHQFBPQQFOCHF-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(aminomethyl)furan-2-yl]-(4-propoxyphenyl)methanone
CID 116590060
(3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 104656982
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
CID 114971046
[3-bromo-4-(2-methoxyethoxy)phenyl]-(5-ethylfuran-2-yl)methanone
CID 104657127
(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
CID 82704223
4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
(3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone
CID 116550966
N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219874
1-(4-methylphenyl)-2-(4-propoxyphenyl)ethanone
CID 143603704
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone?
The IUPAC name of (5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone (CID 114971031) is (5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2ccc(CC)o2)cc1.
What is the InChIKey of (5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone?
The InChIKey is MOHQFBPQQFOCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-3-11-18-14-7-5-12(6-8-14)16(17)15-10-9-13(4-2)19-15/h5-10H,3-4,11H2,1-2H3.
What are the key properties of (5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone?
(5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone has a molecular weight of 258.32 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 114971031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).