1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol

C16H16F2O2 — CID 62608783

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2cccc(F)c2)cc1F
InChIInChI=1S/C16H16F2O2/c1-20-16-6-5-12(10-15(16)18)9-14(19)8-11-3-2-4-13(17)7-11/h2-7,10,14,19H,8-9H2,1H3
InChIKeyNGPDVGOGDKLYKS-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.12
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol

1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol (PubChem CID 62608783) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
PubChem CID62608783
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2cccc(F)c2)cc1F
InChIInChI=1S/C16H16F2O2/c1-20-16-6-5-12(10-15(16)18)9-14(19)8-11-3-2-4-13(17)7-11/h2-7,10,14,19H,8-9H2,1H3
InChIKeyNGPDVGOGDKLYKS-UHFFFAOYSA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
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CID 63022137
1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63035603
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997
1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
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1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
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2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
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1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 115782389
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol
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CID 61412399

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol (CID 62608783) is 1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol is COc1ccc(CC(O)Cc2cccc(F)c2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol?
The InChIKey is NGPDVGOGDKLYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-20-16-6-5-12(10-15(16)18)9-14(19)8-11-3-2-4-13(17)7-11/h2-7,10,14,19H,8-9H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol?
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol has a molecular weight of 278.30 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 62608783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).