3-(4-chloro-3-methylphenoxymethyl)-4-methoxybenzaldehyde

3-(4-chloro-3-methylphenoxymethyl)-4-methoxybenzaldehyde

CAS: 834913-94-9

Formula: C16H15ClO3

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

IUPAC: 3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxybenzaldehyde

InChI: InChI=1S/C16H15ClO3/c1-11-7-14(4-5-15(11)17)20-10-13-8-12(9-18)3-6-16(13)19-2/h3-9H,10H2,1-2H3

Composition: C (66.10%), H (5.20%), Cl (12.19%), O (16.51%)

Molar Mass: 290.74

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	290.070972
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RPEKEFDWEPTYRE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.03
Topological Polar Surface Area	35.53
Polarizability	30.47
Ring Count	2
Rotatable Bond Count	5

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