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Chemical ID: 4207174

Chemical ID:

4207174

Name [?]:

7-hydroxy-2,8-dimethyl-3-phenyl-chromen-4-one

SMILES [?]:

Cc1c(ccc2c1oc(c(c2=O)c3ccccc3)C)O

InChi [?]:

InChI=1/C17H14O3/c1-10-14(18)9-8-13-16(19)15(11(2)20-17(10)13)12-6-4-3-5-7-12/h3-9,18H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,19,16,15,17,14,18,5,4,2,9,13,6,3,10,11,7,20,12,8/E:(4,5)(6,7)/rA:20nCCCCCCCOCCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6s10;d11;s10;s13;d14;s15;d16;d13s17;s9;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₄O₃
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.21861
Area:	440.154
Solvation:	-2.78524
Coulombic:	-33.4952

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	266.291
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.59
LogP (Chemaxon):	4.05

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