ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6663063

Chemical ID:

6663063

Name [?]:

4-methyl-2-(1-phenylethyl)phenol

SMILES [?]:

Cc1ccc(c(c1)C(C)c2ccccc2)O

InChi [?]:

InChI=1/C15H16O/c1-11-8-9-15(16)14(10-11)12(2)13-6-4-3-5-7-13/h3-10,12,16H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,9,13,12,14,11,15,3,4,7,2,8,10,6,5,16/E:(4,5)(6,7)/rA:16cCCCCCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s8;s10;d11;s12;d13;d10s14;s5;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆O
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	1

ZAP Information [?]

Total:	8.22929
Area:	396.402
Solvation:	-1.68077
Coulombic:	-19.4605

Bond Count [?]

All:	17
Single:	11
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	212.287
H-Bond Donors:	1
H-Bond Acceptors:	1
XLogP:	4.23
LogP (Chemaxon):	4.64

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value