3-[2-(benzyloxy)-5-bromophenyl]-3-phenylpropan-1-ol

3-[2-(benzyloxy)-5-bromophenyl]-3-phenylpropan-1-ol

CAS: 156755-25-8

Formula: C22H21BrO2

SMILES: OCCC(C1=CC=CC=C1)C1=CC(Br)=CC=C1OCC1=CC=CC=C1

IUPAC: 3-[2-(benzyloxy)-5-bromophenyl]-3-phenylpropan-1-ol

InChI: InChI=1/C22H21BrO2/c23-19-11-12-22(25-16-17-7-3-1-4-8-17)21(15-19)20(13-14-24)18-9-5-2-6-10-18/h1-12,15,20,24H,13-14,16H2

Composition: C (66.51%), H (5.33%), Br (20.11%), O (8.05%)

Molar Mass: 397.312

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	396.072493
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KJMCZWJBHWBPNB-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	105.57
Topological Polar Surface Area	29.46
Polarizability	40.75
Ring Count	3
Rotatable Bond Count	7

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