Chemical ID: 5111112

COc1ccc(cc1CCCO)Cl
Chemical ID:
5111112
Name [?]:
3-(5-chloro-2-methoxy-phenyl)propan-1-ol
SMILES [?]:
COc1ccc(cc1CCCO)Cl
InChi [?]:
InChI=1/C10H13ClO2/c1-13-10-5-4-9(11)7-8(10)3-2-6-12/h4-5,7,12H,2-3,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,5,4,11,7,8,6,3,13,12,2/rA:13nCOCCCCCCCCCOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s6;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13ClO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.48479
Area:383.041
Solvation:-3.09123
Coulombic:-24.9921
Bond Count [?]
All:13
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:200.662
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.26
LogP (Chemaxon):2.42

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