3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol

C14H10ClF3O2 — CID 146557507

IUPAC3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol
SMILESOc1cccc(OCc2cc(Cl)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10ClF3O2/c15-11-5-9(4-10(6-11)14(16,17)18)8-20-13-3-1-2-12(19)7-13/h1-7,19H,8H2
InChIKeyHWPRMGRRAQQRGD-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.64
Rot. Bonds3

About 3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol

3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol (PubChem CID 146557507) has the molecular formula C14H10ClF3O2 and a molecular weight of 302.68 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol
PubChem CID146557507
Molecular FormulaC14H10ClF3O2
Molecular Weight302.68 g/mol
Exact Mass302.03
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol
SMILESOc1cccc(OCc2cc(Cl)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H10ClF3O2/c15-11-5-9(4-10(6-11)14(16,17)18)8-20-13-3-1-2-12(19)7-13/h1-7,19H,8H2
InChIKeyHWPRMGRRAQQRGD-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

methyl 3-chloro-5-[[3-(trifluoromethyl)phenoxy]methyl]benzoate
CID 122475941
2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221115
3-[[4-amino-3-(trifluoromethyl)phenyl]methoxy]phenol
CID 117220304
3-[[3-amino-4-(trifluoromethyl)phenyl]methoxy]phenol
CID 117221806
methyl 2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]acetate
CID 173335814
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
3-(2,2,2-trifluoroethoxymethoxy)phenol
CID 106705299
4-[(3,5-dichlorophenyl)methoxy]phenol
CID 54406351
3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol
CID 14878507
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
CID 11949842
3-[(3-methylphenyl)methoxy]phenol
CID 39243397

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol (CID 146557507) is 3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol is Oc1cccc(OCc2cc(Cl)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol?
The InChIKey is HWPRMGRRAQQRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2/c15-11-5-9(4-10(6-11)14(16,17)18)8-20-13-3-1-2-12(19)7-13/h1-7,19H,8H2.
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol?
3-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol 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-[[3-chloro-5-(trifluoromethyl)phenyl]methoxy]phenol is sourced from PubChem (CID 146557507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).