4-[4-(heptyloxy)benzoyl]phenyl acetate

4-[4-(heptyloxy)benzoyl]phenyl acetate

CAS: 890099-93-1

Formula: C22H26O4

SMILES: CCCCCCCOC1=CC=C(C=C1)C(=O)C1=CC=C(OC(C)=O)C=C1

IUPAC: 4-[4-(heptyloxy)benzoyl]phenyl acetate

InChI: InChI=1S/C22H26O4/c1-3-4-5-6-7-16-25-20-12-8-18(9-13-20)22(24)19-10-14-21(15-11-19)26-17(2)23/h8-15H,3-7,16H2,1-2H3

Composition: C (74.55%), H (7.39%), O (18.06%)

Molar Mass: 354.446

Atom Count: 52

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	354.183109317
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AUYNCUHACGSQRQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	101.91
Topological Polar Surface Area	52.6
Polarizability	39.97
Ring Count	2
Rotatable Bond Count	11

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