Chemical ID: 4698487

c1ccc(cc1)COc2ccc(cc2)Oc3ccccc3C=CC(=O)O
Chemical ID:
4698487
Name [?]:
3-[2-(4-benzyloxyphenoxy)phenyl]prop-2-enoic acid
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)Oc3ccccc3C=CC(=O)O
InChi [?]:
InChI=1/C22H18O4/c23-22(24)15-10-18-8-4-5-9-21(18)26-20-13-11-19(12-14-20)25-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,18,3,5,20,17,22,10,14,11,13,23,7,4,21,9,12,16,24,25,26,8,15/E:(2,3)(6,7)(11,12)(13,14)(23,24)/rA:26nCCCCCCCOCCCCCCOCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s18;d19;d16s20;s21;w22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.70042
Area:547.467
Solvation:-3.98625
Coulombic:-45.5185
Bond Count [?]
All:28
Single:17
Double:11
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:346.376
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.01
LogP (Chemaxon):5.11

Name Annotations

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Descriptor Annotations

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