(Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one

C14H12O2 — CID 92909359

IUPAC(Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C\C(=O)c2ccco2)cc1
InChIInChI=1S/C14H12O2/c1-11-4-6-12(7-5-11)8-9-13(15)14-3-2-10-16-14/h2-10H,1H3/b9-8-
InChIKeyPJMCNUJXJJAQBZ-HJWRWDBZSA-N
MW212.25 g/mol
LogP3.48
Rot. Bonds3

About (Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one

(Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one (PubChem CID 92909359) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one
PubChem CID92909359
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name(Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C\C(=O)c2ccco2)cc1
InChIInChI=1S/C14H12O2/c1-11-4-6-12(7-5-11)8-9-13(15)14-3-2-10-16-14/h2-10H,1H3/b9-8-
InChIKeyPJMCNUJXJJAQBZ-HJWRWDBZSA-N
XLogP3.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[(Z)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] furan-2-carboxylate
CID 7285122
methyl 4-[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]benzoate
CID 6264432
(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 18830821
1-(furan-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 3118921
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one)
CID 159108688
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
CID 108907475
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
(E)-1,3-bis(4-methylphenyl)prop-2-en-1-one;diiodovanadium
CID 161393105
(E)-1-(2-hydroxy-3,5-dimethylphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 7575127
(E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one
CID 23591129

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one (CID 92909359) is (Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one is Cc1ccc(/C=C\C(=O)c2ccco2)cc1.
What is the InChIKey of (Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is PJMCNUJXJJAQBZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H12O2/c1-11-4-6-12(7-5-11)8-9-13(15)14-3-2-10-16-14/h2-10H,1H3/b9-8-.
What are the key properties of (Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one?
(Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 212.25 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 92909359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).