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Chemical ID: 5119964
Chemical ID:
5119964
Name [?]:
ethyl 3-hydroxy-3,3-bis(4-methoxyphenyl)-propanoate
SMILES [?]:
CCOC(=O)CC(c1ccc(cc1)OC)(c2ccc(cc2)OC)O
InChi [?]:
InChI=1/C19H22O5/c1-4-24-18(20)13-19(21,14-5-9-16(22-2)10-6-14)15-7-11-17(23-3)12-8-15/h5-12,21H,4,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,23,2,9,13,17,21,10,12,18,20,6,8,16,11,19,4,7,5,24,14,22,3/E:(2,3)(5,6,7,8)(9,10,11,12)(14,15)(16,17)(22,23)/rA:24nCCOCOCCCCCCCCOCCCCCCCOCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s7;s16;d17;s18;d19;d16s20;s19;s22;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.44101 |
Area: | 541.806 |
Solvation: | -6.10414 |
Coulombic: | -50.039 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 330.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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