2-(4-phenoxyphenyl)azepane

2-(4-phenoxyphenyl)azepane

CAS: 946682-01-5

Formula: C18H21NO

SMILES: C1CCNC(CC1)C1=CC=C(OC2=CC=CC=C2)C=C1

IUPAC: 2-(4-phenoxyphenyl)azepane

InChI: InChI=1/C18H21NO/c1-3-7-16(8-4-1)20-17-12-10-15(11-13-17)18-9-5-2-6-14-19-18/h1,3-4,7-8,10-13,18-19H,2,5-6,9,14H2

Composition: C (80.86%), H (7.92%), N (5.24%), O (5.98%)

Molar Mass: 267.372

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	267.1623143
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	OYYRNGZCGDRJQR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.96
Topological Polar Surface Area	21.26
Polarizability	32.56
Ring Count	3
Rotatable Bond Count	3

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