Chemical ID: 6451437

COc1c2ccccc2oc(=O)c1Cc3ccccc3
Chemical ID:
6451437
Name [?]:
3-benzyl-4-methoxy-chromen-2-one
SMILES [?]:
COc1c2ccccc2oc(=O)c1Cc3ccccc3
InChi [?]:
InChI=1/C17H14O3/c1-19-16-13-9-5-6-10-15(13)20-17(18)14(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,6,7,16,20,5,8,14,15,4,13,9,3,11,12,2,10/E:(3,4)(7,8)/rA:20nCOCCCCCCCOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;d3s11;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.17972
Area:436.192
Solvation:-2.72508
Coulombic:-28.9858
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:266.291
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.69
LogP (Chemaxon):3.94

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Descriptor Annotations

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