Chemical ID: 4221877

Cc1ccc2c(c1C)OC(=O)CC2c3ccccc3
Chemical ID:
4221877
Name [?]:
7,8-dimethyl-4-phenyl-chroman-2-one
SMILES [?]:
Cc1ccc2c(c1C)OC(=O)CC2c3ccccc3
InChi [?]:
InChI=1/C17H16O2/c1-11-8-9-14-15(13-6-4-3-5-7-13)10-16(18)19-17(14)12(11)2/h3-9,15H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,17,16,18,15,19,3,4,12,2,7,14,5,13,10,6,11,9/E:(4,5)(6,7)/rA:19cCCCCCCCCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s5s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.56808
Area:429.979
Solvation:-2.18139
Coulombic:-19.6812
Bond Count [?]
All:21
Single:14
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:252.308
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.64
LogP (Chemaxon):4.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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