methyl 2-[2-(1,2,3,4,4a,9,9a,10-octahydroanthracen-9-yl)ethyl]-6-hydroxybenzoate

methyl 2-[2-(1,2,3,4,4a,9,9a,10-octahydroanthracen-9-yl)ethyl]-6-hydroxybenzoate

CAS: 1217661-95-4

Formula: C24H28O3

SMILES: COC(=O)C1=C(O)C=CC=C1CCC1C2CCCCC2CC2=CC=CC=C12

IUPAC: methyl 2-[2-(1,2,3,4,4a,9,9a,10-octahydroanthracen-9-yl)ethyl]-6-hydroxybenzoate

InChI: InChI=1/C24H28O3/c1-27-24(26)23-16(9-6-12-22(23)25)13-14-21-19-10-4-2-7-17(19)15-18-8-3-5-11-20(18)21/h2,4,6-7,9-10,12,18,20-21,25H,3,5,8,11,13-15H2,1H3

Composition: C (79.09%), H (7.74%), O (13.17%)

Molar Mass: 364.485

Atom Count: 55

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	364.203844762
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OUPDCYDORAMWNW-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	107.89
Topological Polar Surface Area	46.53
Polarizability	41.68
Ring Count	4
Rotatable Bond Count	5

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