Chemical ID: 6678803

COc1ccc(cc1OCc2ccccc2)CC(CO)O
Chemical ID:
6678803
Name [?]:
3-(3-benzyloxy-4-methoxy-phenyl)propane-1,2-diol
SMILES [?]:
COc1ccc(cc1OCc2ccccc2)CC(CO)O
InChi [?]:
InChI=1/C17H20O4/c1-20-16-8-7-14(9-15(19)11-18)10-17(16)21-12-13-5-3-2-4-6-13/h2-8,10,15,18-19H,9,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,5,4,17,7,19,10,11,6,18,3,8,20,21,2,9/E:(3,4)(5,6)/rA:21cCOCCCCCCOCCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s6;s17;s18;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:5.03751
Area:509.393
Solvation:-7.69732
Coulombic:-48.4575
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:288.338
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.97
LogP (Chemaxon):2.66

Name Annotations

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Descriptor Annotations

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