1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol

C24H24F2O2 — CID 134080764

IUPAC1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol
SMILESCC(C)(C)C(O)(c1ccc(OCc2ccccc2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C24H24F2O2/c1-23(2,3)24(27,19-11-14-21(25)22(26)15-19)18-9-12-20(13-10-18)28-16-17-7-5-4-6-8-17/h4-15,27H,16H2,1-3H3
InChIKeyKTSLRCXQRQIMKW-UHFFFAOYSA-N
MW382.45 g/mol
LogP5.83
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol

1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol (PubChem CID 134080764) has the molecular formula C24H24F2O2 and a molecular weight of 382.45 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol
PubChem CID134080764
Molecular FormulaC24H24F2O2
Molecular Weight382.45 g/mol
Exact Mass382.17
IUPAC Name1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol
SMILESCC(C)(C)C(O)(c1ccc(OCc2ccccc2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C24H24F2O2/c1-23(2,3)24(27,19-11-14-21(25)22(26)15-19)18-9-12-20(13-10-18)28-16-17-7-5-4-6-8-17/h4-15,27H,16H2,1-3H3
InChIKeyKTSLRCXQRQIMKW-UHFFFAOYSA-N
XLogP5.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.45
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)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

(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 131871320
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
CID 79353304
2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetamide
CID 139613624
2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
1-(2,4-dimethylpent-4-en-2-yl)-4-phenylmethoxybenzene
CID 146167604
1-fluoro-2-iodo-4-phenylmethoxybenzene
CID 18330888
2-[[3-(4-tert-butylphenoxy)phenyl]methylamino]-6-fluorophenol;2-[[3-(4-chlorophenoxy)phenyl]methylamino]-6-fluorophenol;2-fluoro-6-[(3-phenoxyphenyl)methylamino]phenol;2-fluoro-6-[(3-phenylmethoxyphenyl)methylamino]phenol
CID 160900439
2-tert-butyl-7-phenylmethoxynaphthalene
CID 146249475
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol (CID 134080764) is 1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol is CC(C)(C)C(O)(c1ccc(OCc2ccccc2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol?
The InChIKey is KTSLRCXQRQIMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2O2/c1-23(2,3)24(27,19-11-14-21(25)22(26)15-19)18-9-12-20(13-10-18)28-16-17-7-5-4-6-8-17/h4-15,27H,16H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol?
1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol has a molecular weight of 382.45 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-ol is sourced from PubChem (CID 134080764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).