[2-chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol

C14H10ClF3O2 — CID 28945976

IUPAC[2-chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESOCc1c(Cl)cccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H10ClF3O2/c15-11-5-3-7-12(9(11)8-19)20-13-6-2-1-4-10(13)14(16,17)18/h1-7,19H,8H2
InChIKeyFFSQMSWBPMAKAE-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.64
Rot. Bonds3

About [2-chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol

[2-chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol (PubChem CID 28945976) has the molecular formula C14H10ClF3O2 and a molecular weight of 302.68 g/mol. Its IUPAC name is [2-chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol
PubChem CID28945976
Molecular FormulaC14H10ClF3O2
Molecular Weight302.68 g/mol
Exact Mass302.03
IUPAC Name[2-chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESOCc1c(Cl)cccc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H10ClF3O2/c15-11-5-3-7-12(9(11)8-19)20-13-6-2-1-4-10(13)14(16,17)18/h1-7,19H,8H2
InChIKeyFFSQMSWBPMAKAE-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

Benzenemethanol, 2-(phenylmethoxy)-
CID 18811
2-Phenoxybenzyl alcohol
CID 3660111
7-Chlorochroman-4-ol
CID 76851067
4 Chloro-2-methoxybenzyl alcohol
CID 3549393
1,3-Dichloro-5-[(3,5-difluorophenyl)methoxy]benzene
CID 2740949
(3R,4R)-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-ol
CID 45272393
4-[(2-Chlorophenyl)methoxy]phenol
CID 43143381
Benzyl 3-chlorophenyl ether
CID 13702
Benzenemethanol, 2,2'-oxybis-
CID 611393
(3-((2-Chlorobenzyl)oxy)phenyl)boronic acid
CID 16217705
B-[3-[(2-Chlorophenyl)methoxy]-2,6-difluorophenyl]boronic acid
CID 16217910
5-Chloro-2-(difluoromethoxy)benzenemethanol
CID 43141878

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol?
The IUPAC name of [2-chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol (CID 28945976) is [2-chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol is OCc1c(Cl)cccc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of [2-chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol?
The InChIKey is FFSQMSWBPMAKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2/c15-11-5-3-7-12(9(11)8-19)20-13-6-2-1-4-10(13)14(16,17)18/h1-7,19H,8H2.
What are the key properties of [2-chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol?
[2-chloro-6-[2-(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 [2-chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol is sourced from PubChem (CID 28945976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).