Chemical ID: 4956474

CCOC(=O)C(C(c1ccccc1)c2ccccc2)O
Chemical ID:
4956474
Name [?]:
ethyl 2-hydroxy-3,3-diphenyl-propanoate
SMILES [?]:
CCOC(=O)C(C(c1ccccc1)c2ccccc2)O
InChi [?]:
InChI=1/C17H18O3/c1-2-20-17(19)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15-16,18H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,17,10,12,16,18,9,13,15,19,8,14,7,6,4,20,5,3/E:(3,4)(5,6,7,8)(9,10,11,12)(13,14)/rA:20cCCOCOCCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d17;d14s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.2141
Area:449.194
Solvation:-3.01575
Coulombic:-39.7319
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:270.323
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.09
LogP (Chemaxon):3.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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