Chemical ID: 5779727

COc1ccc(cc1)OCC(CO)O
Chemical ID:
5779727
Name [?]:
3-(4-methoxyphenoxy)propane-1,2-diol
SMILES [?]:
COc1ccc(cc1)OCC(CO)O
InChi [?]:
InChI=1/C10H14O4/c1-13-9-2-4-10(5-3-9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,5,7,12,10,11,3,6,13,14,2,9/E:(2,3)(4,5)/rA:14cCOCCCCCCOCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:2.88196
Area:383.634
Solvation:-6.70889
Coulombic:-46.4585
Bond Count [?]
All:14
Single:11
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:198.216
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.47
LogP (Chemaxon):0.73

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Descriptor Annotations

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