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Chemical ID: 4671723

Chemical ID:

4671723

Name [?]:

2-[1-(2-hydroxyphenyl)ethyl]-4-methyl-phenol

SMILES [?]:

Cc1ccc(c(c1)C(C)c2ccccc2O)O

InChi [?]:

InChI=1/C15H16O2/c1-10-7-8-15(17)13(9-10)11(2)12-5-3-4-6-14(12)16/h3-9,11,16-17H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,9,12,13,11,14,3,4,7,2,8,10,6,15,5,16,17/rA:17cCCCCCCCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s8;s10;d11;s12;d13;d10s14;s15;s5;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆O₂
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	1

ZAP Information [?]

Total:	7.62059
Area:	404.055
Solvation:	-2.48078
Coulombic:	-34.7492

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	228.286
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	3.4
LogP (Chemaxon):	4.36

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