2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol

C21H26F2O5 — CID 102218533

IUPAC2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol
SMILESCOc1ccc(COCC(COCc2ccc(OC)cc2)C(F)(F)CO)cc1
InChIInChI=1S/C21H26F2O5/c1-25-19-7-3-16(4-8-19)11-27-13-18(21(22,23)15-24)14-28-12-17-5-9-20(26-2)10-6-17/h3-10,18,24H,11-15H2,1-2H3
InChIKeyKLCLGWDQCQVNAV-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.68
Rot. Bonds12

About 2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol

2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol (PubChem CID 102218533) has the molecular formula C21H26F2O5 and a molecular weight of 396.43 g/mol. Its IUPAC name is 2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol
PubChem CID102218533
Molecular FormulaC21H26F2O5
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol
SMILESCOc1ccc(COCC(COCc2ccc(OC)cc2)C(F)(F)CO)cc1
InChIInChI=1S/C21H26F2O5/c1-25-19-7-3-16(4-8-19)11-27-13-18(21(22,23)15-24)14-28-12-17-5-9-20(26-2)10-6-17/h3-10,18,24H,11-15H2,1-2H3
InChIKeyKLCLGWDQCQVNAV-UHFFFAOYSA-N
XLogP3.68
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol with MolForge

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Related Compounds

bis[1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] carbonate
CID 134305238
2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol
CID 15417178
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
[1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] hydrogen carbonate
CID 126505922
(2S,3S)-4-[(4-methoxyphenyl)methoxy]-2-methyl-2-prop-1-en-2-ylbutane-1,3-diol
CID 11414824
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
CID 71079760
(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol
CID 10857567
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
(2R)-3-[(4-methoxyphenyl)methoxy]-2-phenylpropan-1-ol
CID 101173435
(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol
CID 11219333
(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol?
The IUPAC name of 2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol (CID 102218533) is 2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol.
What is the SMILES notation for 2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol?
The canonical SMILES for 2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol is COc1ccc(COCC(COCc2ccc(OC)cc2)C(F)(F)CO)cc1.
What is the InChIKey of 2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol?
The InChIKey is KLCLGWDQCQVNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2O5/c1-25-19-7-3-16(4-8-19)11-27-13-18(21(22,23)15-24)14-28-12-17-5-9-20(26-2)10-6-17/h3-10,18,24H,11-15H2,1-2H3.
What are the key properties of 2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol?
2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol has a molecular weight of 396.43 g/mol, XLogP of 3.68, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-[(4-methoxyphenyl)methoxy]-3-[(4-methoxyphenyl)methoxymethyl]butan-1-ol is sourced from PubChem (CID 102218533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).