Chemical ID: 6462705

Cc1ccc(cc1)C(=O)Oc2ccccc2C
Chemical ID:
6462705
Name [?]:
o-tolyl 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccccc2C
InChi [?]:
InChI=1/C15H14O2/c1-11-7-9-13(10-8-11)15(16)17-14-6-4-3-5-12(14)2/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,14,13,15,12,3,7,4,6,2,16,5,11,8,9,10/E:(7,8)(9,10)/rA:17nCCCCCCCCOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.29652
Area:415.957
Solvation:-1.10241
Coulombic:-23.0136
Bond Count [?]
All:18
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.27
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.19
LogP (Chemaxon):4.21

Name Annotations

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Descriptor Annotations

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