Chemical ID: 4493700

CC(=O)c1ccc(cc1)COc2ccc(cc2)C=O
Chemical ID:
4493700
Name [?]:
4-[(4-acetylphenyl)methoxy]benzaldehyde
SMILES [?]:
CC(=O)c1ccc(cc1)COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C16H14O3/c1-12(18)15-6-2-14(3-7-15)11-19-16-8-4-13(10-17)5-9-16/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,8,14,16,5,9,13,17,18,10,2,15,7,4,12,19,3,11/E:(2,3)(4,5)(6,7)(8,9)/rA:19nCCOCCCCCCCOCCCCCCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s15;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.78467
Area:466.769
Solvation:-4.88457
Coulombic:-23.0131
Bond Count [?]
All:20
Single:12
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:254.281
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.18
LogP (Chemaxon):2.55

Name Annotations

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Descriptor Annotations

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