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Chemical ID: 4669493
Chemical ID:
4669493
Name [?]:
1-benzylnaphthalen-2-ol
SMILES [?]:
c1ccc(cc1)Cc2c3ccccc3ccc2O
InChi [?]:
InChI=1/C17H14O/c18-17-11-10-14-8-4-5-9-15(14)16(17)12-13-6-2-1-3-7-13/h1-11,18H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,3,5,13,10,15,16,7,4,14,9,8,17,18/E:(2,3)(6,7)/rA:18nCCCCCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;d8s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.26641 |
Area: | 403.428 |
Solvation: | -1.81928 |
Coulombic: | -19.9342 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 234.292 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.64 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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