Chemical ID: 3965131

c1ccc(cc1)C2CC(=O)c3ccc(cc3O2)O
Chemical ID:
3965131
Name [?]:
7-hydroxy-2-phenyl-chroman-4-one
SMILES [?]:
c1ccc(cc1)C2CC(=O)c3ccc(cc3O2)O
InChi [?]:
InChI=1/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,12,15,8,4,14,11,9,7,16,18,10,17/E:(2,3)(4,5)/rA:18cCCCCCCCCCOCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.15211
Area:416.582
Solvation:-3.26245
Coulombic:-33.072
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:240.254
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.8
LogP (Chemaxon):2.56

Name Annotations

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Descriptor Annotations

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