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Chemical ID: 6419409

Chemical ID:

6419409

Name [?]:

2-(2,5-dihydroxy-4-methyl-phenyl)-5-methyl-benzene-1,4-diol

SMILES [?]:

Cc1cc(c(cc1O)c2cc(c(cc2O)C)O)O

InChi [?]:

InChI=1/C14H14O4/c1-7-3-13(17)9(5-11(7)15)10-6-12(16)8(2)4-14(10)18/h3-6,15-18H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,16,3,13,6,10,2,12,5,9,7,11,4,14,8,17,18,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCCCCCCCOCCCCCCOCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;d9s13;s14;s12;s11;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄O₄
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	6.4373
Area:	420.353
Solvation:	-4.07152
Coulombic:	-63.7649

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	246.259
H-Bond Donors:	4
H-Bond Acceptors:	4
XLogP:	0.25
LogP (Chemaxon):	3.53

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