Chemical ID: 7088881

COc1ccc(cc1OC)c2cccc(c2)C=O
Chemical ID:
7088881
Name [?]:
3-(3,4-dimethoxyphenyl)benzaldehyde
SMILES [?]:
COc1ccc(cc1OC)c2cccc(c2)C=O
InChi [?]:
InChI=1/C15H14O3/c1-17-14-7-6-13(9-15(14)18-2)12-5-3-4-11(8-12)10-16/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,13,14,12,5,4,16,7,17,15,11,6,3,8,18,2,9/rA:18nCOCCCCCCOCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;d11s15;s15;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14O3
All Atoms:32
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:5.03497
Area:434.647
Solvation:-5.8312
Coulombic:-22.1606
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:242.27
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.22
LogP (Chemaxon):2.9

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Descriptor Annotations

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