1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol

C18H21FO2 — CID 114833348

IUPAC1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
SMILESCOc1ccc(C)cc1CC(C)(O)Cc1cccc(F)c1
InChIInChI=1S/C18H21FO2/c1-13-7-8-17(21-3)15(9-13)12-18(2,20)11-14-5-4-6-16(19)10-14/h4-10,20H,11-12H2,1-3H3
InChIKeyIBYCLKKFBOQXJI-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.68
Rot. Bonds5

About 1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol

1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol (PubChem CID 114833348) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
PubChem CID114833348
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
SMILESCOc1ccc(C)cc1CC(C)(O)Cc1cccc(F)c1
InChIInChI=1S/C18H21FO2/c1-13-7-8-17(21-3)15(9-13)12-18(2,20)11-14-5-4-6-16(19)10-14/h4-10,20H,11-12H2,1-3H3
InChIKeyIBYCLKKFBOQXJI-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-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-(5-bromo-2-methoxyphenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833364
1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 62534879
1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 43423933
1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol
CID 80557783
2-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-1-methoxy-4-methylbenzene
CID 66042915
2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833315
3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 82140408
1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833275
1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833346
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol
CID 83075942
3-[(2-methoxy-5-methylphenyl)methyl]benzoic acid
CID 116927115

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol (CID 114833348) is 1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol is COc1ccc(C)cc1CC(C)(O)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol?
The InChIKey is IBYCLKKFBOQXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-13-7-8-17(21-3)15(9-13)12-18(2,20)11-14-5-4-6-16(19)10-14/h4-10,20H,11-12H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol?
1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol has a molecular weight of 288.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 114833348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).