3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol

C24H23F3O — CID 163836406

IUPAC3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol
SMILESCc1cc(O)cc(-c2cccc(-c3cc(C)cc(C(F)(F)F)c3)c2C(C)C)c1
InChIInChI=1S/C24H23F3O/c1-14(2)23-21(17-8-15(3)10-19(12-17)24(25,26)27)6-5-7-22(23)18-9-16(4)11-20(28)13-18/h5-14,28H,1-4H3
InChIKeyOICMQQWKWUWNNI-UHFFFAOYSA-N
MW384.44 g/mol
LogP7.49
Rot. Bonds3

About 3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol

3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol (PubChem CID 163836406) has the molecular formula C24H23F3O and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol.

Molecular Properties

Compound Name3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol
PubChem CID163836406
Molecular FormulaC24H23F3O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol
SMILESCc1cc(O)cc(-c2cccc(-c3cc(C)cc(C(F)(F)F)c3)c2C(C)C)c1
InChIInChI=1S/C24H23F3O/c1-14(2)23-21(17-8-15(3)10-19(12-17)24(25,26)27)6-5-7-22(23)18-9-16(4)11-20(28)13-18/h5-14,28H,1-4H3
InChIKeyOICMQQWKWUWNNI-UHFFFAOYSA-N
XLogP7.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol 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

3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol
CID 53221964
1,3-bis[3,5-bis(trifluoromethyl)phenyl]-2-methylbenzene
CID 163637967
3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol
CID 53222164
1-(5-fluoro-2-propan-2-ylphenyl)-3-methyl-5-(trifluoromethyl)benzene
CID 170246253
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
2-(3-hydroxy-5-methylphenyl)-4,5-dimethylphenol
CID 101299256
2-(3-hydroxy-5-methylphenyl)benzene-1,4-diol
CID 101299746
bis(benzene-1,3,5-triol);ethane;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;4-propan-2-ylbenzene-1,2-diol
CID 162043519
1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene
CID 169072232
1-fluoro-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]benzene
CID 152897168
1-[difluoro(iodo)methyl]-3-methyl-5-(trifluoromethyl)benzene
CID 131977806
bis(benzene-1,3,5-triol);ethane;3-methyl-5-propan-2-ylphenol;bis(1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene);bis(naphthalene-1,5-diol);tris(4-propan-2-ylbenzene-1,2-diol);bis(4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenol)
CID 160889050

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol?
The IUPAC name of 3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol (CID 163836406) is 3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol.
What is the SMILES notation for 3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol?
The canonical SMILES for 3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol is Cc1cc(O)cc(-c2cccc(-c3cc(C)cc(C(F)(F)F)c3)c2C(C)C)c1.
What is the InChIKey of 3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol?
The InChIKey is OICMQQWKWUWNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3O/c1-14(2)23-21(17-8-15(3)10-19(12-17)24(25,26)27)6-5-7-22(23)18-9-16(4)11-20(28)13-18/h5-14,28H,1-4H3.
What are the key properties of 3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol?
3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol has a molecular weight of 384.44 g/mol, XLogP of 7.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol is sourced from PubChem (CID 163836406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).