2-(3,5-dimethylphenoxy)butanoic acid

2-(3,5-dimethylphenoxy)butanoic acid

CAS: 25140-79-8

Formula: C12H16O3

SMILES: CCC(OC1=CC(C)=CC(C)=C1)C(O)=O

IUPAC: 2-(3,5-dimethylphenoxy)butanoic acid

InChI: InChI=1/C12H16O3/c1-4-11(12(13)14)15-10-6-8(2)5-9(3)7-10/h5-7,11H,4H2,1-3H3,(H,13,14)

Composition: C (69.21%), H (7.74%), O (23.05%)

Molar Mass: 208.257

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	208.109944375
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CEMWDKOEAHBYQZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.71
Topological Polar Surface Area	46.53
Polarizability	22.41
Ring Count	1
Rotatable Bond Count	4

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