1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol

C19H22F2O3 — CID 159356219

IUPAC1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(Cc2ccc(OCC(F)CF)cc2)cc1
InChIInChI=1S/C19H22F2O3/c1-14(22)12-23-18-6-2-15(3-7-18)10-16-4-8-19(9-5-16)24-13-17(21)11-20/h2-9,14,17,22H,10-13H2,1H3
InChIKeyJLZFHIMQLMMTLK-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.72
Rot. Bonds9

About 1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol

1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol (PubChem CID 159356219) has the molecular formula C19H22F2O3 and a molecular weight of 336.38 g/mol. Its IUPAC name is 1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol
PubChem CID159356219
Molecular FormulaC19H22F2O3
Molecular Weight336.38 g/mol
Exact Mass336.15
IUPAC Name1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(Cc2ccc(OCC(F)CF)cc2)cc1
InChIInChI=1S/C19H22F2O3/c1-14(22)12-23-18-6-2-15(3-7-18)10-16-4-8-19(9-5-16)24-13-17(21)11-20/h2-9,14,17,22H,10-13H2,1H3
InChIKeyJLZFHIMQLMMTLK-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159194222
1-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol;oxet-2-one
CID 68789075
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781
1-[4-[[4-(1-hydroxy-2-methoxyethyl)phenyl]methyl]phenoxy]propan-2-ol
CID 123594321
1-[4-[[4-(2-hydroxybutoxy)phenyl]methyl]phenoxy]butan-2-ol
CID 59871731
1-[4-[(4-pent-4-ynoxyphenyl)methyl]phenoxy]propan-2-ol
CID 159897530
1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol
CID 161419834
1-(4-iodophenoxy)propan-2-ol
CID 65277775
2,3-difluoropropoxybenzene
CID 141126062
1-[4-[(4-ethoxyphenyl)methyl]phenoxy]-3-fluoropropan-2-ol;tungsten
CID 160707756
1-(4-pentylphenoxy)propan-2-ol
CID 142276328
(2S)-1-(3-benzylphenoxy)propan-2-ol
CID 121250409

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol (CID 159356219) is 1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol is CC(O)COc1ccc(Cc2ccc(OCC(F)CF)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol?
The InChIKey is JLZFHIMQLMMTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2O3/c1-14(22)12-23-18-6-2-15(3-7-18)10-16-4-8-19(9-5-16)24-13-17(21)11-20/h2-9,14,17,22H,10-13H2,1H3.
What are the key properties of 1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol?
1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol has a molecular weight of 336.38 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2,3-difluoropropoxy)phenyl]methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 159356219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).