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Chemical ID: 4909231

Chemical ID:

4909231

Name [?]:

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-chroman-4-one

SMILES [?]:

Cc1c(cc2c(c1O)C(=O)CC(O2)c3ccc(cc3)O)O

InChi [?]:

InChI=1/C16H14O5/c1-8-11(18)6-14-15(16(8)20)12(19)7-13(21-14)9-2-4-10(17)5-3-9/h2-6,13,17-18,20H,7H2,1H3

InChi Info:

AuxInfo=1/0/N:1,15,19,16,18,4,11,2,14,17,3,9,12,5,6,7,20,21,10,8,13/E:(2,3)(4,5)/rA:21cCCCCCCCOCOCCOCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s11;s5s12;s12;s14;d15;s16;d17;d14s18;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄O₅
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	6.0481
Area:	456.137
Solvation:	-5.35533
Coulombic:	-62.2579

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	286.279
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	1.37
LogP (Chemaxon):	3.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value