3-(4-chloro-3,5-dimethylphenoxymethyl)-4-methoxybenzaldehyde

3-(4-chloro-3,5-dimethylphenoxymethyl)-4-methoxybenzaldehyde

CAS: 438532-81-1

Formula: C17H17ClO3

SMILES: COC1=C(COC2=CC(C)=C(Cl)C(C)=C2)C=C(C=O)C=C1

IUPAC: 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxybenzaldehyde

InChI: InChI=1S/C17H17ClO3/c1-11-6-15(7-12(2)17(11)18)21-10-14-8-13(9-19)4-5-16(14)20-3/h4-9H,10H2,1-3H3

Composition: C (67.00%), H (5.62%), Cl (11.63%), O (15.75%)

Molar Mass: 304.77

Atom Count: 38

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	304.0866221
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BQOGYXQCGXWJNJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.07
Topological Polar Surface Area	35.53
Polarizability	32.23
Ring Count	2
Rotatable Bond Count	5

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