1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol

C13H18F2O2 — CID 65150516

IUPAC1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H18F2O2/c1-3-9(2)8-12(16)10-4-6-11(7-5-10)17-13(14)15/h4-7,9,12-13,16H,3,8H2,1-2H3
InChIKeyURVLLKWRAMRNHY-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.76
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol

1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol (PubChem CID 65150516) has the molecular formula C13H18F2O2 and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol
PubChem CID65150516
Molecular FormulaC13H18F2O2
Molecular Weight244.28 g/mol
Exact Mass244.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol
SMILESCCC(C)CC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H18F2O2/c1-3-9(2)8-12(16)10-4-6-11(7-5-10)17-13(14)15/h4-7,9,12-13,16H,3,8H2,1-2H3
InChIKeyURVLLKWRAMRNHY-UHFFFAOYSA-N
XLogP3.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158840
1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
CID 166194503
3-methyl-1-(4-phenylphenyl)pentan-1-ol
CID 65148669
3-methyl-1-(4-propylphenyl)pentan-1-ol
CID 114875906
1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol
CID 63017905
1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol
CID 64568016
2-(aminomethyl)-1-[4-(difluoromethoxy)phenyl]butan-1-ol
CID 79135604
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
(1S,2R)-2-amino-1-[4-(difluoromethoxy)phenyl]propan-1-ol
CID 28743825
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
CID 78960222
2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanenitrile
CID 63365561
1-[4-[1-[4-(1-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol
CID 18791858

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol (CID 65150516) is 1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol is CCC(C)CC(O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol?
The InChIKey is URVLLKWRAMRNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O2/c1-3-9(2)8-12(16)10-4-6-11(7-5-10)17-13(14)15/h4-7,9,12-13,16H,3,8H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol?
1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol has a molecular weight of 244.28 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol is sourced from PubChem (CID 65150516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).