4-(3-ethynylphenoxymethyl)-1,2-dimethylbenzene

4-(3-ethynylphenoxymethyl)-1,2-dimethylbenzene

Formula: C17H16O

SMILES: CC1=C(C)C=C(COC2=CC(=CC=C2)C#C)C=C1

IUPAC: 4-[(3-ethynylphenoxy)methyl]-1,2-dimethylbenzene

InChI: InChI=1S/C17H16O/c1-4-15-6-5-7-17(11-15)18-12-16-9-8-13(2)14(3)10-16/h1,5-11H,12H2,2-3H3

Composition: C (86.40%), H (6.82%), O (6.77%)

Molar Mass: 236.314

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	236.120115135
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	OKJHSAVNTACWRN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.39
Topological Polar Surface Area	9.23
Polarizability	28.6
Ring Count	2
Rotatable Bond Count	3

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C17H16O		$554.00-$1,700.00$554.00$1,001.00$1,700.00