2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal

C23H25F3O2 — CID 88975610

IUPAC2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal
SMILESCC(C)CC(C=O)c1ccc(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C23H25F3O2/c1-15(2)11-19(13-27)18-7-10-22(28-14-16-3-4-16)21(12-18)17-5-8-20(9-6-17)23(24,25)26/h5-10,12-13,15-16,19H,3-4,11,14H2,1-2H3
InChIKeyQCFSKSDYTMWQJL-UHFFFAOYSA-N
MW390.45 g/mol
LogP6.49
Rot. Bonds8

About 2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal

2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal (PubChem CID 88975610) has the molecular formula C23H25F3O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal.

Molecular Properties

Compound Name2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal
PubChem CID88975610
Molecular FormulaC23H25F3O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal
SMILESCC(C)CC(C=O)c1ccc(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C23H25F3O2/c1-15(2)11-19(13-27)18-7-10-22(28-14-16-3-4-16)21(12-18)17-5-8-20(9-6-17)23(24,25)26/h5-10,12-13,15-16,19H,3-4,11,14H2,1-2H3
InChIKeyQCFSKSDYTMWQJL-UHFFFAOYSA-N
XLogP6.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Amg-837
CID 46854655
1,1,1-Trifluoro-8-(4-biphenylyloxy)-2-octanone
CID 44341053
2-{2-[2,3-Difluoro-4-(2-methylpropyl)phenyl]phenoxy}acetaldehyde
CID 16720100
3-(4-Butoxyphenyl)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 16737175
3-Phenyl-3-[4-(4,4,4-trifluorobutoxy)phenyl]propanoic acid
CID 16737843
1,1,1-Trifluoro-7-(4-biphenylyloxy)-2-heptanone
CID 44342825
1,1,1-Trifluoro-8-(3-biphenylyloxy)-2-octanone
CID 44343094
1-[2-Fluoro-4'-(4-trifluoromethyl-cyclohexyloxy)-biphenyl-4-yl]-cyclopropanecarboxylic acid
CID 10364928
2-{4-Methoxy-3-[3-(4-trifluoromethyl-phenyl)-propyl]-benzyl}-butyric acid
CID 11090513
(3R)-3-[4-({3-[4-(trifluoromethyl)phenyl]phenyl}methoxy)phenyl]hex-4-ynoic acid
CID 57393692
2-[3-(Cyclopropylmethoxy)-4-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
CID 58150549
2-[4-(Cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
CID 58150570

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal?
The IUPAC name of 2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal (CID 88975610) is 2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal.
What is the SMILES notation for 2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal?
The canonical SMILES for 2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal is CC(C)CC(C=O)c1ccc(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal?
The InChIKey is QCFSKSDYTMWQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3O2/c1-15(2)11-19(13-27)18-7-10-22(28-14-16-3-4-16)21(12-18)17-5-8-20(9-6-17)23(24,25)26/h5-10,12-13,15-16,19H,3-4,11,14H2,1-2H3.
What are the key properties of 2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal?
2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal has a molecular weight of 390.45 g/mol, XLogP of 6.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethoxy)-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanal is sourced from PubChem (CID 88975610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).