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Chemical ID: 6506652

Chemical ID:

6506652

Name [?]:

4-(1-hydroxypropyl)-2,6-ditert-butyl-phenol

SMILES [?]:

CCC(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)O

InChi [?]:

InChI=1/C17H28O2/c1-8-14(18)11-9-12(16(2,3)4)15(19)13(10-11)17(5,6)7/h9-10,14,18-19H,8H2,1-7H3

InChi Info:

AuxInfo=1/0/N:1,11,12,13,16,17,18,2,9,5,4,8,6,3,7,10,15,19,14/E:(2,3,4,5,6,7)(9,10)(12,13)(16,17)/rA:19cCCCCCCCCCCCCCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s10;s10;s7;s6;s15;s15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₈O₂
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	9.30247
Area:	465.329
Solvation:	-2.33076
Coulombic:	-35.8003

Bond Count [?]

All:	19
Single:	16
Double:	3
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	264.403
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	4.9
LogP (Chemaxon):	5.36

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value