ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7154808

Chemical ID:

7154808

Name [?]:

[2-[(4-chlorophenyl)methoxy]phenyl]methanol

SMILES [?]:

c1ccc(c(c1)CO)OCc2ccc(cc2)Cl

InChi [?]:

InChI=1/C14H13ClO2/c15-13-7-5-11(6-8-13)10-17-14-4-2-1-3-12(14)9-16/h1-8,16H,9-10H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,12,16,13,15,7,10,11,5,14,4,17,8,9/E:(5,6)(7,8)/rA:17nCCCCCCCOOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s4;s9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₃ClO₂
All Atoms:	30
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.30815
Area:	443.482
Solvation:	-2.77891
Coulombic:	-27.7773

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	248.705
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.46
LogP (Chemaxon):	3.55

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