Chemical ID: 6690260

C=CCC(c1ccc(cc1)Cl)O
Chemical ID:
6690260
Name [?]:
1-(4-chlorophenyl)but-3-en-1-ol
SMILES [?]:
C=CCC(c1ccc(cc1)Cl)O
InChi [?]:
InChI=1/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h2,4-7,10,12H,1,3H2
InChi Info:
AuxInfo=1/0/N:1,2,3,6,10,7,9,5,8,4,11,12/E:(4,5)(6,7)/rA:12cCCCCCCCCCCClO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s4;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11ClO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:7.32428
Area:363.079
Solvation:-1.7527
Coulombic:-20.6971
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:182.646
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.92
LogP (Chemaxon):3.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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