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1-{[1,1'-biphenyl]-4-yl}-3-hydroxybut-2-en-1-one

1-{[1,1'-biphenyl]-4-yl}-3-hydroxybut-2-en-1-one

CAS: 7642-25-3

Formula: C16H14O2

SMILES: CC(O)=CC(=O)C1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: 1-{[1,1'-biphenyl]-4-yl}-3-hydroxybut-2-en-1-one

InChI: InChI=1S/C16H14O2/c1-12(17)11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11,17H,1H3

Composition: C (80.65%), H (5.92%), O (13.43%)

Molar Mass: 238.286

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 238.099379691
Formal Charge 0
FSP3 0.06
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RFZLLNQICDOYSI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.04
Topological Polar Surface Area 37.3
Polarizability 29.15
Ring Count 2
Rotatable Bond Count 3

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