4-[(1E)-2-(3-hydroxyphenyl)ethenyl]phenyl benzoate

4-[(1E)-2-(3-hydroxyphenyl)ethenyl]phenyl benzoate

CAS: 1171921-36-0

Formula: C21H16O3

SMILES: OC1=CC=CC(C=CC2=CC=C(OC(=O)C3=CC=CC=C3)C=C2)=C1

IUPAC: 4-[(1E)-2-(3-hydroxyphenyl)ethenyl]phenyl benzoate

InChI: InChI=1S/C21H16O3/c22-19-8-4-5-17(15-19)10-9-16-11-13-20(14-12-16)24-21(23)18-6-2-1-3-7-18/h1-15,22H/b10-9+

Composition: C (79.73%), H (5.10%), O (15.17%)

Molar Mass: 316.356

Atom Count: 40

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	316.109944375
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KSHNKNMVOOJLNC-MDZDMXLPSA-N
Lipinski's Rule of Five
Molar Refractivity	95.3
Topological Polar Surface Area	46.53
Polarizability	36.13
Ring Count	3
Rotatable Bond Count	5

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