2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol

C19H22F2O3 — CID 147880525

IUPAC2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol
SMILESCCCOc1ccc(Cc2ccc(OCC(F)(F)CO)cc2)cc1
InChIInChI=1S/C19H22F2O3/c1-2-11-23-17-7-3-15(4-8-17)12-16-5-9-18(10-6-16)24-14-19(20,21)13-22/h3-10,22H,2,11-14H2,1H3
InChIKeyWMUYZSYFURSFKT-UHFFFAOYSA-N
MW336.38 g/mol
LogP4.07
Rot. Bonds9

About 2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol

2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol (PubChem CID 147880525) has the molecular formula C19H22F2O3 and a molecular weight of 336.38 g/mol. Its IUPAC name is 2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol
PubChem CID147880525
Molecular FormulaC19H22F2O3
Molecular Weight336.38 g/mol
Exact Mass336.15
IUPAC Name2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol
SMILESCCCOc1ccc(Cc2ccc(OCC(F)(F)CO)cc2)cc1
InChIInChI=1S/C19H22F2O3/c1-2-11-23-17-7-3-15(4-8-17)12-16-5-9-18(10-6-16)24-14-19(20,21)13-22/h3-10,22H,2,11-14H2,1H3
InChIKeyWMUYZSYFURSFKT-UHFFFAOYSA-N
XLogP4.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-[4-[[4-(3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol;tungsten
CID 160711520
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol
CID 58288779
N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine
CID 95444836
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
2-amino-2-(4-propoxyphenyl)propan-1-ol
CID 61056640
2-methyl-2-[(4-pentoxyphenyl)methylamino]propan-1-ol
CID 28725557
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
CID 11481238
2-methyl-2-(methylamino)-6-(4-propoxyphenoxy)hexan-1-ol
CID 64805410
2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol
CID 64802925
1,1,1-trifluoro-2-(4-propoxyphenyl)butan-2-ol
CID 83957964

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol (CID 147880525) is 2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol is CCCOc1ccc(Cc2ccc(OCC(F)(F)CO)cc2)cc1.
What is the InChIKey of 2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol?
The InChIKey is WMUYZSYFURSFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2O3/c1-2-11-23-17-7-3-15(4-8-17)12-16-5-9-18(10-6-16)24-14-19(20,21)13-22/h3-10,22H,2,11-14H2,1H3.
What are the key properties of 2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol?
2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol has a molecular weight of 336.38 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[4-[(4-propoxyphenyl)methyl]phenoxy]propan-1-ol is sourced from PubChem (CID 147880525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).