1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol

C32H30F4O — CID 70829651

IUPAC1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol
SMILESCCc1ccc(CCc2ccc(-c3ccc(-c4ccc(C(O)CC)cc4)c(F)c3)c(C(F)F)c2F)cc1
InChIInChI=1S/C32H30F4O/c1-3-20-5-7-21(8-6-20)9-10-24-15-18-27(30(31(24)34)32(35)36)25-16-17-26(28(33)19-25)22-11-13-23(14-12-22)29(37)4-2/h5-8,11-19,29,32,37H,3-4,9-10H2,1-2H3
InChIKeySJDRHVJSBSOIHM-UHFFFAOYSA-N
MW506.58 g/mol
LogP9.03
Rot. Bonds9

About 1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol

1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol (PubChem CID 70829651) has the molecular formula C32H30F4O and a molecular weight of 506.58 g/mol. Its IUPAC name is 1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol
PubChem CID70829651
Molecular FormulaC32H30F4O
Molecular Weight506.58 g/mol
Exact Mass506.22
IUPAC Name1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol
SMILESCCc1ccc(CCc2ccc(-c3ccc(-c4ccc(C(O)CC)cc4)c(F)c3)c(C(F)F)c2F)cc1
InChIInChI=1S/C32H30F4O/c1-3-20-5-7-21(8-6-20)9-10-24-15-18-27(30(31(24)34)32(35)36)25-16-17-26(28(33)19-25)22-11-13-23(14-12-22)29(37)4-2/h5-8,11-19,29,32,37H,3-4,9-10H2,1-2H3
InChIKeySJDRHVJSBSOIHM-UHFFFAOYSA-N
XLogP9.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.58
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol 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

1-Pyrenemethanol
CID 104977
Benzo(a)pyrene-7,8-dihydrodiol
CID 25892
12-Methylbenz(a)anthracene-7-methanol
CID 11285
Bay 27-9955
CID 5311277
Benzo(a)pyrene-6-methanol
CID 30544
7-Hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
CID 97714
1-(1-Pyrenyl)ethanol
CID 119118
2-Pyrenemethanol
CID 146932
3-(5'-{2-[3,4-Bis(Hydroxymethyl)phenyl]ethyl}-2'-Methyl-2-Propylbiphenyl-4-Yl)pentan-3-Ol
CID 9847095
alpha-Phenyl[1,1'-biphenyl]-4-methanol
CID 95512
7-Methylbenz(a)anthracene-12-methanol
CID 11284
rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol
CID 156317

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol (CID 70829651) is 1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol is CCc1ccc(CCc2ccc(-c3ccc(-c4ccc(C(O)CC)cc4)c(F)c3)c(C(F)F)c2F)cc1.
What is the InChIKey of 1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol?
The InChIKey is SJDRHVJSBSOIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F4O/c1-3-20-5-7-21(8-6-20)9-10-24-15-18-27(30(31(24)34)32(35)36)25-16-17-26(28(33)19-25)22-11-13-23(14-12-22)29(37)4-2/h5-8,11-19,29,32,37H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol?
1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol has a molecular weight of 506.58 g/mol, XLogP of 9.03, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(difluoromethyl)-4-[2-(4-ethylphenyl)ethyl]-3-fluorophenyl]-2-fluorophenyl]phenyl]propan-1-ol is sourced from PubChem (CID 70829651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).