Chemical ID: 4397588

COC(=O)c1ccc(cc1)OCCOc2ccccc2
Chemical ID:
4397588
Name [?]:
methyl 4-(2-phenoxyethoxy)benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)OCCOc2ccccc2
InChi [?]:
InChI=1/C16H16O4/c1-18-16(17)13-7-9-15(10-8-13)20-12-11-19-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,16,20,6,10,7,9,13,12,5,15,8,3,4,2,14,11/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCOCOCCCCCCOCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.52651
Area:491.953
Solvation:-4.77231
Coulombic:-35.7411
Bond Count [?]
All:21
Single:14
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:272.296
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.33
LogP (Chemaxon):2.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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