(1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol

C17H18F2O4 — CID 11198109

IUPAC(1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol
SMILESCOc1ccc([C@@H](O)C(F)(F)[C@H](O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18F2O4/c1-22-13-7-3-11(4-8-13)15(20)17(18,19)16(21)12-5-9-14(23-2)10-6-12/h3-10,15-16,20-21H,1-2H3/t15-,16-/m1/s1
InChIKeyFQVNZQRNNHYNST-HZPDHXFCSA-N
MW324.32 g/mol
LogP3.11
Rot. Bonds6

About (1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol

(1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol (PubChem CID 11198109) has the molecular formula C17H18F2O4 and a molecular weight of 324.32 g/mol. Its IUPAC name is (1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol.

Molecular Properties

Compound Name(1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol
PubChem CID11198109
Molecular FormulaC17H18F2O4
Molecular Weight324.32 g/mol
Exact Mass324.12
IUPAC Name(1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol
SMILESCOc1ccc([C@@H](O)C(F)(F)[C@H](O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18F2O4/c1-22-13-7-3-11(4-8-13)15(20)17(18,19)16(21)12-5-9-14(23-2)10-6-12/h3-10,15-16,20-21H,1-2H3/t15-,16-/m1/s1
InChIKeyFQVNZQRNNHYNST-HZPDHXFCSA-N
XLogP3.11
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-Methoxyphenyl)propane-1,2-diol
CID 3016654
US9682910, 4-(2,4-dimethoxy-3-methylphenethyl)benzene-1,3-diol (19)
CID 44611713
4-(3-(2,4,6-Trimethoxyphenyl)propyl)benzene-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of (1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol?
The IUPAC name of (1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol (CID 11198109) is (1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol.
What is the SMILES notation for (1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol?
The canonical SMILES for (1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol is COc1ccc([C@@H](O)C(F)(F)[C@H](O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol?
The InChIKey is FQVNZQRNNHYNST-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H18F2O4/c1-22-13-7-3-11(4-8-13)15(20)17(18,19)16(21)12-5-9-14(23-2)10-6-12/h3-10,15-16,20-21H,1-2H3/t15-,16-/m1/s1.
What are the key properties of (1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol?
(1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol has a molecular weight of 324.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-2,2-difluoro-1,3-bis(4-methoxyphenyl)propane-1,3-diol is sourced from PubChem (CID 11198109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).