2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol

C14H11F3O3 — CID 53221067

IUPAC2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol
SMILESCOc1ccc(-c2cccc(OC(F)(F)F)c2)cc1O
InChIInChI=1S/C14H11F3O3/c1-19-13-6-5-10(8-12(13)18)9-3-2-4-11(7-9)20-14(15,16)17/h2-8,18H,1H3
InChIKeyMGHSRQPYTITFAX-UHFFFAOYSA-N
MW284.23 g/mol
LogP3.97
Rot. Bonds3

About 2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol

2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol (PubChem CID 53221067) has the molecular formula C14H11F3O3 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol
PubChem CID53221067
Molecular FormulaC14H11F3O3
Molecular Weight284.23 g/mol
Exact Mass284.07
IUPAC Name2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol
SMILESCOc1ccc(-c2cccc(OC(F)(F)F)c2)cc1O
InChIInChI=1S/C14H11F3O3/c1-19-13-6-5-10(8-12(13)18)9-3-2-4-11(7-9)20-14(15,16)17/h2-8,18H,1H3
InChIKeyMGHSRQPYTITFAX-UHFFFAOYSA-N
XLogP3.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118821679
[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
CID 171037282
ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633459
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
CID 79018315
3-(3-hydroxy-4-methoxyphenyl)benzaldehyde
CID 53220736
2-nitro-1-(trifluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118834881
1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene
CID 171367488
ethane;3-(trifluoromethoxy)phenol
CID 143201974

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol?
The IUPAC name of 2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol (CID 53221067) is 2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol.
What is the SMILES notation for 2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol?
The canonical SMILES for 2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol is COc1ccc(-c2cccc(OC(F)(F)F)c2)cc1O.
What is the InChIKey of 2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol?
The InChIKey is MGHSRQPYTITFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O3/c1-19-13-6-5-10(8-12(13)18)9-3-2-4-11(7-9)20-14(15,16)17/h2-8,18H,1H3.
What are the key properties of 2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol?
2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol has a molecular weight of 284.23 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol is sourced from PubChem (CID 53221067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).