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Chemical ID: 4271515

Chemical ID:

4271515

Name [?]:

2,5-bis[(4-hydroxyphenyl)methylene]cyclopentan-1-one

SMILES [?]:

c1cc(ccc1C=C2CCC(=Cc3ccc(cc3)O)C2=O)O

InChi [?]:

InChI=1/C19H16O3/c20-17-7-1-13(2-8-17)11-15-5-6-16(19(15)22)12-14-3-9-18(21)10-4-14/h1-4,7-12,20-21H,5-6H2

InChi Info:

AuxInfo=1/0/N:1,5,14,18,9,10,2,4,15,17,7,12,6,13,8,11,3,16,20,22,19,21/E:(1,2,3,4)(5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(20,21)/rA:22nCCCCCCCCCCCCCCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s8s11;d20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₆O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.57494
Area:	500.584
Solvation:	-3.93967
Coulombic:	-42.3485

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	2
Chiral:	2
Rigid Segments:	3

Chemical Properties

Molecular Weight:	292.329
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	3.05
LogP (Chemaxon):	4.0

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