[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol

C14H10ClF3O2 — CID 13090688

IUPAC[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESOCc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H10ClF3O2/c15-12-7-10(14(16,17)18)4-5-13(12)20-11-3-1-2-9(6-11)8-19/h1-7,19H,8H2
InChIKeyVYZXUJHHVSECIE-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.64
Rot. Bonds3

About [3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol

[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol (PubChem CID 13090688) has the molecular formula C14H10ClF3O2 and a molecular weight of 302.68 g/mol. Its IUPAC name is [3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol
PubChem CID13090688
Molecular FormulaC14H10ClF3O2
Molecular Weight302.68 g/mol
Exact Mass302.03
IUPAC Name[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESOCc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H10ClF3O2/c15-12-7-10(14(16,17)18)4-5-13(12)20-11-3-1-2-9(6-11)8-19/h1-7,19H,8H2
InChIKeyVYZXUJHHVSECIE-UHFFFAOYSA-N
XLogP4.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]propanoic acid
CID 68675820
(1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 55182879
2-[3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxyethyl 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate
CID 14403310
[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 86666206
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
amino 3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate
CID 70515964
2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 15574482
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 145108431
[3-chloro-4-[3-(dimethylamino)phenoxy]phenyl]methanol
CID 81152356
CID 89104061
CID 89104061

Frequently Asked Questions

What is the IUPAC name of [3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol?
The IUPAC name of [3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol (CID 13090688) is [3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol.
What is the SMILES notation for [3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol?
The canonical SMILES for [3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol is OCc1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of [3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol?
The InChIKey is VYZXUJHHVSECIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2/c15-12-7-10(14(16,17)18)4-5-13(12)20-11-3-1-2-9(6-11)8-19/h1-7,19H,8H2.
What are the key properties of [3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol?
[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol has a molecular weight of 302.68 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol is sourced from PubChem (CID 13090688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).