2-(adamantan-1-yl)-4-bromophenol

2-(adamantan-1-yl)-4-bromophenol

CAS: 104224-68-2

Formula: C16H19BrO

SMILES: OC1=C(C=C(Br)C=C1)C12CC3CC(CC(C3)C1)C2

IUPAC: 2-(adamantan-1-yl)-4-bromophenol

InChI: InChI=1S/C16H19BrO/c17-13-1-2-15(18)14(6-13)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12,18H,3-5,7-9H2

Composition: C (62.55%), H (6.23%), Br (26.01%), O (5.21%)

Molar Mass: 307.231

Atom Count: 37

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	306.061928
Formal Charge	0
FSP3	0.62
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	NYJXKHIVLGWPCF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.37
Topological Polar Surface Area	20.23
Polarizability	29.79
Ring Count	4
Rotatable Bond Count	1

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