Chemical ID: 4695688

C#Cc1ccc(cc1)OCc2ccccc2
Chemical ID:
4695688
Name [?]:
1-benzyloxy-4-ethynyl-benzene
SMILES [?]:
C#Cc1ccc(cc1)OCc2ccccc2
InChi [?]:
InChI=1/C15H12O/c1-2-13-8-10-15(11-9-13)16-12-14-6-4-3-5-7-14/h1,3-11H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,12,16,4,8,5,7,10,3,11,6,9/E:(4,5)(6,7)(8,9)(10,11)/rA:16nCCCCCCCCOCCCCCCC/rB:t1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.00179
Area:416.148
Solvation:-2.40192
Coulombic:-12.3867
Bond Count [?]
All:17
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:208.255
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.14
LogP (Chemaxon):3.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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