Chemical ID: 4961505

COc1ccc(cc1)C(=O)OCc2ccccc2
Chemical ID:
4961505
Name [?]:
benzyl 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)OCc2ccccc2
InChi [?]:
InChI=1/C15H14O3/c1-17-14-9-7-13(8-10-14)15(16)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,5,7,4,8,12,13,6,3,9,10,2,11/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCOCCCCCCCOOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.222
Area:448.06
Solvation:-2.9795
Coulombic:-29.6267
Bond Count [?]
All:19
Single:12
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:242.27
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.58
LogP (Chemaxon):3.12

Name Annotations

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Descriptor Annotations

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