5-(4-tert-butylphenoxymethyl)furan-2-carboxylic acid

5-(4-tert-butylphenoxymethyl)furan-2-carboxylic acid

CAS: 74556-54-0

Formula: C16H18O4

SMILES: CC(C)(C)C1=CC=C(OCC2=CC=C(O2)C(O)=O)C=C1

IUPAC: 5-[(4-tert-butylphenoxy)methyl]furan-2-carboxylic acid

InChI: InChI=1S/C16H18O4/c1-16(2,3)11-4-6-12(7-5-11)19-10-13-8-9-14(20-13)15(17)18/h4-9H,10H2,1-3H3,(H,17,18)

Composition: C (70.06%), H (6.61%), O (23.33%)

Molar Mass: 274.316

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	274.12050906
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IBCVBAKAPXHALY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.32
Topological Polar Surface Area	59.67
Polarizability	28.93
Ring Count	2
Rotatable Bond Count	5

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