CC(C)(C)OC(=O)COC1=CC=CC(=C1)C=CCO
Name: tert-butyl 2-[3-(3-hydroxyprop-1-enyl)phenoxy]acetate
SMILES: CC(C)(C)OC(=O)COC1=CC=CC(=C1)C=CCO

Molecular Processing

Molecular formula
C15H20O4
Molecular weight
264.32
Exact mass
264.1362
XLogP
2.41
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
73.9

Supplementary Information

InChIKey: NGJUMJUGZQRXNQ-UHFFFAOYSA-N
Synonyme
SCHEMBL7107421
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