equol

equol

CAS: 94105-90-5

Formula: C15H14O3

SMILES: OC1=CC=C(C=C1)C1COC2=CC(O)=CC=C2C1

IUPAC: 3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol

InChI: InChI=1/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2

Composition: C (74.36%), H (5.82%), O (19.81%)

Molar Mass: 242.274

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	equol
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	242.094294311
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ADFCQWZHKCXPAJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.96
Topological Polar Surface Area	49.69
Polarizability	26.44
Ring Count	3
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.25%	<7 Days	94105-90-5		$35.53-$286.11$35.53$56.10$123.42$168.30$218.79$286.11