1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one

1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one

CAS: 182631-11-4

Formula: C13H18O2

SMILES: COC1=CC=CC(=C1)C(=O)CC(C)(C)C

IUPAC: 1-(3-methoxyphenyl)-3,3-dimethylbutan-1-one

InChI: InChI=1S/C13H18O2/c1-13(2,3)9-12(14)10-6-5-7-11(8-10)15-4/h5-8H,9H2,1-4H3

Composition: C (75.69%), H (8.80%), O (15.51%)

Molar Mass: 206.285

Atom Count: 33

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	206.13067982
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ICRWCQOAEMDMLS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.18
Topological Polar Surface Area	26.3
Polarizability	23.95
Ring Count	1
Rotatable Bond Count	4

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