2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol

C17H19FO3 — CID 114833150

IUPAC2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol
SMILESCOc1cc(OC)cc(C(C)(O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FO3/c1-17(19,11-12-4-6-14(18)7-5-12)13-8-15(20-2)10-16(9-13)21-3/h4-10,19H,11H2,1-3H3
InChIKeyLUFZSVALNAATIN-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.29
Rot. Bonds5

About 2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol

2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol (PubChem CID 114833150) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol
PubChem CID114833150
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol
SMILESCOc1cc(OC)cc(C(C)(O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FO3/c1-17(19,11-12-4-6-14(18)7-5-12)13-8-15(20-2)10-16(9-13)21-3/h4-10,19H,11H2,1-3H3
InChIKeyLUFZSVALNAATIN-UHFFFAOYSA-N
XLogP3.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol
CID 63273431
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
2-(3-fluoro-5-methylphenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114832963
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
1-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 105402488
2-(1H-indol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 81436881
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)propan-2-ol
CID 114832961
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
2-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833204
2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol (CID 114833150) is 2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol is COc1cc(OC)cc(C(C)(O)Cc2ccc(F)cc2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol?
The InChIKey is LUFZSVALNAATIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO3/c1-17(19,11-12-4-6-14(18)7-5-12)13-8-15(20-2)10-16(9-13)21-3/h4-10,19H,11H2,1-3H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol?
2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol has a molecular weight of 290.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 114833150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).