2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde

C24H18F6O5 — CID 161167132

IUPAC2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde
SMILESCOc1ccc(COc2ccc(C(F)(F)F)cc2C=O)cc1.O=Cc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C16H13F3O3.C8H5F3O2/c1-21-14-5-2-11(3-6-14)10-22-15-7-4-13(16(17,18)19)8-12(15)9-20;9-8(10,11)6-1-2-7(13)5(3-6)4-12/h2-9H,10H2,1H3;1-4,13H
InChIKeyUQRPGBKTQJAGEI-UHFFFAOYSA-N
MW500.39 g/mol
LogP6.33
Rot. Bonds6

About 2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde

2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde (PubChem CID 161167132) has the molecular formula C24H18F6O5 and a molecular weight of 500.39 g/mol. Its IUPAC name is 2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde
PubChem CID161167132
Molecular FormulaC24H18F6O5
Molecular Weight500.39 g/mol
Exact Mass500.11
IUPAC Name2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde
SMILESCOc1ccc(COc2ccc(C(F)(F)F)cc2C=O)cc1.O=Cc1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C16H13F3O3.C8H5F3O2/c1-21-14-5-2-11(3-6-14)10-22-15-7-4-13(16(17,18)19)8-12(15)9-20;9-8(10,11)6-1-2-7(13)5(3-6)4-12/h2-9H,10H2,1H3;1-4,13H
InChIKeyUQRPGBKTQJAGEI-UHFFFAOYSA-N
XLogP6.33
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.39
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 63530168
2-[(4-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 28880484
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde
CID 172541807
1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone
CID 59384444
2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene
CID 177493638
5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 61490800
2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde
CID 88918697
5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 58007781
2-fluoro-5-[(2-formyl-4-methoxyphenoxy)methyl]benzonitrile
CID 103758787
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde (CID 161167132) is 2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde is COc1ccc(COc2ccc(C(F)(F)F)cc2C=O)cc1.O=Cc1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde?
The InChIKey is UQRPGBKTQJAGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O3.C8H5F3O2/c1-21-14-5-2-11(3-6-14)10-22-15-7-4-13(16(17,18)19)8-12(15)9-20;9-8(10,11)6-1-2-7(13)5(3-6)4-12/h2-9H,10H2,1H3;1-4,13H.
What are the key properties of 2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde?
2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde has a molecular weight of 500.39 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 161167132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).