Chemical ID: 6680703

CC(C)c1ccccc1O
Chemical ID:
6680703
Name [?]:
2-isopropylphenol
SMILES [?]:
CC(C)c1ccccc1O
InChi [?]:
InChI=1/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,7,5,8,2,4,9,10/E:(1,2)/rA:10nCCCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12O
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.13081
Area:298.52
Solvation:-1.33218
Coulombic:-18.1709
Bond Count [?]
All:10
Single:7
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:136.191
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.81
LogP (Chemaxon):2.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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