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Chemical ID: 4438906

Chemical ID:

4438906

Name [?]:

[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol

SMILES [?]:

c1cc(cc(c1)F)COc2ccc(cc2Cl)CO

InChi [?]:

InChI=1/C14H12ClFO2/c15-13-7-10(8-17)4-5-14(13)18-9-11-2-1-3-12(16)6-11/h1-7,17H,8-9H2

InChi Info:

AuxInfo=1/0/N:1,2,6,12,11,4,14,17,8,13,3,5,15,10,16,7,18,9/rA:18nCCCCCCFCOCCCCCCClCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;d11;s12;d13;d10s14;s15;s13;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₂ClFO₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	6.72047
Area:	450.31
Solvation:	-4.53727
Coulombic:	-29.8377

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	266.695
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.62
LogP (Chemaxon):	3.69

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