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4-[4-(prop-2-yn-1-yloxy)benzoyl]phenol

4-[4-(prop-2-yn-1-yloxy)benzoyl]phenol

CAS: 1208395-99-6

Formula: C16H12O3

SMILES: OC1=CC=C(C=C1)C(=O)C1=CC=C(OCC#C)C=C1

IUPAC: 4-[4-(prop-2-yn-1-yloxy)benzoyl]phenol

InChI: InChI=1S/C16H12O3/c1-2-11-19-15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h1,3-10,17H,11H2

Composition: C (76.18%), H (4.79%), O (19.03%)

Molar Mass: 252.269

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 252.078644246
Formal Charge 0
FSP3 0.06
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey TZKIHDJSIXVMIQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.66
Topological Polar Surface Area 46.53
Polarizability 27.68
Ring Count 2
Rotatable Bond Count 4

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