4-butoxyphenyl 4-pentylbenzoate

4-butoxyphenyl 4-pentylbenzoate

CAS: 51128-24-6

Formula: C22H28O3

SMILES: CCCCCC1=CC=C(C=C1)C(=O)OC1=CC=C(OCCCC)C=C1

IUPAC: 4-butoxyphenyl 4-pentylbenzoate

InChI: InChI=1S/C22H28O3/c1-3-5-7-8-18-9-11-19(12-10-18)22(23)25-21-15-13-20(14-16-21)24-17-6-4-2/h9-16H,3-8,17H2,1-2H3

Composition: C (77.61%), H (8.29%), O (14.10%)

Molar Mass: 340.463

Atom Count: 53

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	340.203844762
Formal Charge	0
FSP3	0.41
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LEJYVZMFIRFBCQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	101.64
Topological Polar Surface Area	35.53
Polarizability	39.66
Ring Count	2
Rotatable Bond Count	11

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