Chemical ID: 4184807

COC1=C(C(=O)OC2C1C=CC=C2)Cc3ccccc3
Chemical ID:
4184807
Name [?]:
3-benzyl-4-methoxy-4a,8a-dihydrochromen-2-one
SMILES [?]:
COC1=C(C(=O)OC2C1C=CC=C2)Cc3ccccc3
InChi [?]:
InChI=1/C17H16O3/c1-19-16-13-9-5-6-10-15(13)20-17(18)14(16)11-12-7-3-2-4-8-12/h2-10,13,15H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,11,12,16,20,10,13,14,15,9,4,8,3,5,6,2,7/E:(3,4)(7,8)/rA:20cCOCCCOOCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s3s8;s9;d10;s11;s8d12;s4;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:7.76954
Area:434.25
Solvation:-3.08672
Coulombic:-29.3203
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:268.307
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.8
LogP (Chemaxon):1.98

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Descriptor Annotations

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