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Chemical ID: 6530681

Chemical ID:

6530681

Name [?]:

3-(2-hydroxyphenyl)-1-(p-tolyl)prop-2-en-1-one

SMILES [?]:

Cc1ccc(cc1)C(=O)C=Cc2ccccc2O

InChi [?]:

InChI=1/C16H14O2/c1-12-6-8-14(9-7-12)16(18)11-10-13-4-2-3-5-15(13)17/h2-11,17H,1H3

InChi Info:

AuxInfo=1/0/N:1,14,15,13,16,3,7,4,6,11,10,2,12,5,17,8,18,9/E:(6,7)(8,9)/rA:18nCCCCCCCCOCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄O₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.10768
Area:	428.648
Solvation:	-2.60852
Coulombic:	-27.2606

Bond Count [?]

All:	19
Single:	11
Double:	8
Rotors:	3
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	238.281
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.88
LogP (Chemaxon):	4.2

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value