1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one

C19H20O3 — CID 4776110

IUPAC1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one
SMILESCc1cc(C)cc(OCc2ccc(C=CC(=O)C3CC3)o2)c1
InChIInChI=1S/C19H20O3/c1-13-9-14(2)11-18(10-13)21-12-17-6-5-16(22-17)7-8-19(20)15-3-4-15/h5-11,15H,3-4,12H2,1-2H3
InChIKeyZBAXEZXYMMUXOK-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.47
Rot. Bonds6

About 1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one

1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one (PubChem CID 4776110) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one
PubChem CID4776110
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one
SMILESCc1cc(C)cc(OCc2ccc(C=CC(=O)C3CC3)o2)c1
InChIInChI=1S/C19H20O3/c1-13-9-14(2)11-18(10-13)21-12-17-6-5-16(22-17)7-8-19(20)15-3-4-15/h5-11,15H,3-4,12H2,1-2H3
InChIKeyZBAXEZXYMMUXOK-UHFFFAOYSA-N
XLogP4.47
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19581037
(E)-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-enamide
CID 170877481
(E)-3-[5-[(6-bromonaphthalen-2-yl)oxymethyl]furan-2-yl]-1-cyclopropylprop-2-en-1-one
CID 19558908
(E)-1-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19558842
(E)-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-1-(2,5-dimethylthiophen-3-yl)prop-2-en-1-one
CID 19558531
5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde
CID 7019247
(E)-1-cyclopropyl-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19558880
3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-1-(2-methylpyrazol-3-yl)prop-2-en-1-one
CID 4867023
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878
(E)-1-(4-methylphenyl)-3-[5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19565059
1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62453412
(E)-3-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one
CID 19561186

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one?
The IUPAC name of 1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one (CID 4776110) is 1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one.
What is the SMILES notation for 1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one?
The canonical SMILES for 1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one is Cc1cc(C)cc(OCc2ccc(C=CC(=O)C3CC3)o2)c1.
What is the InChIKey of 1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one?
The InChIKey is ZBAXEZXYMMUXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-13-9-14(2)11-18(10-13)21-12-17-6-5-16(22-17)7-8-19(20)15-3-4-15/h5-11,15H,3-4,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one?
1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one has a molecular weight of 296.37 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-en-1-one is sourced from PubChem (CID 4776110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).