Chemical ID: 7278605

Cc1cc(c(cc1COc2ccc3c(c2)OCO3)OC)OC
Chemical ID:
7278605
Name [?]:
5-[(4,5-dimethoxy-2-methyl-phenyl)methoxy]benzo[1,3]dioxole
SMILES [?]:
Cc1cc(c(cc1COc2ccc3c(c2)OCO3)OC)OC
InChi [?]:
InChI=1/C17H18O5/c1-11-6-15(18-2)16(19-3)7-12(11)9-20-13-4-5-14-17(8-13)22-10-21-14/h4-8H,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,11,12,3,6,15,8,17,2,7,10,13,4,5,14,21,19,9,18,16/rA:22nCCCCCCCCOCCCCCCOCOOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s5;s19;s4;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18O5
All Atoms:40
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.64877
Area:495.988
Solvation:-6.75092
Coulombic:-37.9385
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:302.322
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.4
LogP (Chemaxon):3.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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