2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol

C17H19FO3 — CID 79445073

IUPAC2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol
SMILESCOc1cccc(CC(CO)(CO)c2cccc(F)c2)c1
InChIInChI=1S/C17H19FO3/c1-21-16-7-2-4-13(8-16)10-17(11-19,12-20)14-5-3-6-15(18)9-14/h2-9,19-20H,10-12H2,1H3
InChIKeyOMYWJNNQQWPCRW-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.30
Rot. Bonds6

About 2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol

2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol (PubChem CID 79445073) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol
PubChem CID79445073
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol
SMILESCOc1cccc(CC(CO)(CO)c2cccc(F)c2)c1
InChIInChI=1S/C17H19FO3/c1-21-16-7-2-4-13(8-16)10-17(11-19,12-20)14-5-3-6-15(18)9-14/h2-9,19-20H,10-12H2,1H3
InChIKeyOMYWJNNQQWPCRW-UHFFFAOYSA-N
XLogP2.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-2-methoxypropan-1-ol
CID 105441079
2-(3-fluorophenyl)-2-(3-methoxyanilino)butan-1-ol
CID 114872860
2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol
CID 106508050
(3-methoxyphenyl)(113C)methanol
CID 11593446
2-(aminomethyl)-3-(3,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507128
2-(3-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79449979
1-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]-3-methylbenzene
CID 79453748
2-[(3-methoxyphenyl)methyl]-2-methylbut-3-en-1-ol
CID 102641849
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
2-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methylphenyl)propane-1,3-diol
CID 79444855
1-(2-benzyl-1,3-dichloropropan-2-yl)-3-fluorobenzene
CID 79453237
2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
CID 79445085

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol?
The IUPAC name of 2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol (CID 79445073) is 2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol?
The canonical SMILES for 2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol is COc1cccc(CC(CO)(CO)c2cccc(F)c2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol?
The InChIKey is OMYWJNNQQWPCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO3/c1-21-16-7-2-4-13(8-16)10-17(11-19,12-20)14-5-3-6-15(18)9-14/h2-9,19-20H,10-12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol?
2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol has a molecular weight of 290.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol is sourced from PubChem (CID 79445073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).