4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde

C14H9F3O3 — CID 165416807

IUPAC4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde
SMILESO=Cc1ccc(O)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C14H9F3O3/c15-14(16,17)20-11-4-2-10(3-5-11)12-7-9(8-18)1-6-13(12)19/h1-8,19H
InChIKeyDLWQVRMAZPQRTB-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.77
Rot. Bonds3

About 4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde

4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde (PubChem CID 165416807) has the molecular formula C14H9F3O3 and a molecular weight of 282.22 g/mol. Its IUPAC name is 4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde
PubChem CID165416807
Molecular FormulaC14H9F3O3
Molecular Weight282.22 g/mol
Exact Mass282.05
IUPAC Name4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde
SMILESO=Cc1ccc(O)c(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C14H9F3O3/c15-14(16,17)20-11-4-2-10(3-5-11)12-7-9(8-18)1-6-13(12)19/h1-8,19H
InChIKeyDLWQVRMAZPQRTB-UHFFFAOYSA-N
XLogP3.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
CID 134630076
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 118811729
3,6-bis[4-(trifluoromethoxy)phenyl]-9H-fluorene-2,7,9-triol
CID 145313600
2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
methane;4-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]benzaldehyde
CID 143849528
3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
CID 23063720
3-methyl-5-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 122475705
2-[4-(trifluoromethoxy)phenyl]-1,3-benzothiazole-5-carbaldehyde
CID 122424122
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865
5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134629132
4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde
CID 115028639

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde?
The IUPAC name of 4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde (CID 165416807) is 4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde?
The canonical SMILES for 4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde is O=Cc1ccc(O)c(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde?
The InChIKey is DLWQVRMAZPQRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O3/c15-14(16,17)20-11-4-2-10(3-5-11)12-7-9(8-18)1-6-13(12)19/h1-8,19H.
What are the key properties of 4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde?
4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde has a molecular weight of 282.22 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 165416807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).