Chemical ID: 5045644

CCCCOC1c2ccccc2CC1O
Chemical ID:
5045644
Name [?]:
1-butoxyindan-2-ol
SMILES [?]:
CCCCOC1c2ccccc2CC1O
InChi [?]:
InChI=1/C13H18O2/c1-2-3-8-15-13-11-7-5-4-6-10(11)9-12(13)14/h4-7,12-14H,2-3,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,10,9,11,8,4,13,12,7,14,6,15,5/rA:15cCCCCOCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:5.72917
Area:397.93
Solvation:-4.21908
Coulombic:-25.5413
Bond Count [?]
All:16
Single:13
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:206.281
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.36
LogP (Chemaxon):2.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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