1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol

C17H18F2O2 — CID 105402488

IUPAC1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
SMILESCOc1ccc(CC(C)(O)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H18F2O2/c1-17(20,10-12-3-5-16(21-2)6-4-12)11-13-7-14(18)9-15(19)8-13/h3-9,20H,10-11H2,1-2H3
InChIKeyYVCXKDMJQASSLO-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.51
Rot. Bonds5

About 1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol

1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol (PubChem CID 105402488) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
PubChem CID105402488
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
SMILESCOc1ccc(CC(C)(O)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H18F2O2/c1-17(20,10-12-3-5-16(21-2)6-4-12)11-13-7-14(18)9-15(19)8-13/h3-9,20H,10-11H2,1-2H3
InChIKeyYVCXKDMJQASSLO-UHFFFAOYSA-N
XLogP3.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol
CID 63273431
1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270750
4-fluoro-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 95983001
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982952
2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951
2-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782018
1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol
CID 65145568
2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833150
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine
CID 79702014
1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol
CID 79189896
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270705

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol (CID 105402488) is 1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol is COc1ccc(CC(C)(O)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol?
The InChIKey is YVCXKDMJQASSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-17(20,10-12-3-5-16(21-2)6-4-12)11-13-7-14(18)9-15(19)8-13/h3-9,20H,10-11H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol?
1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol has a molecular weight of 292.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 105402488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).