1-[3-(difluoromethoxy)phenyl]propan-1-ol

C10H12F2O2 — CID 115787675

IUPAC1-[3-(difluoromethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1cccc(OC(F)F)c1
InChIInChI=1S/C10H12F2O2/c1-2-9(13)7-4-3-5-8(6-7)14-10(11)12/h3-6,9-10,13H,2H2,1H3
InChIKeyBOJPCTBKDBYKBF-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.73
Rot. Bonds4

About 1-[3-(difluoromethoxy)phenyl]propan-1-ol

1-[3-(difluoromethoxy)phenyl]propan-1-ol (PubChem CID 115787675) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]propan-1-ol
PubChem CID115787675
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name1-[3-(difluoromethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1cccc(OC(F)F)c1
InChIInChI=1S/C10H12F2O2/c1-2-9(13)7-4-3-5-8(6-7)14-10(11)12/h3-6,9-10,13H,2H2,1H3
InChIKeyBOJPCTBKDBYKBF-UHFFFAOYSA-N
XLogP2.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(difluoromethoxy)phenyl]propan-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

(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171262763
1-[3-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 114980286
1-[3-(difluoromethoxy)phenyl]-4-ethylsulfonylbutan-1-ol
CID 115803658
1-[3-(difluoromethoxy)phenyl]but-3-yn-1-ol
CID 115840010
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate
CID 117367197
1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol
CID 115804584
1-[3-(difluoromethoxy)phenyl]hex-5-yn-1-ol
CID 115831710
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780549
1-(3-butoxyphenyl)propan-1-ol
CID 83953800
(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol
CID 115780318

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]propan-1-ol?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]propan-1-ol (CID 115787675) is 1-[3-(difluoromethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]propan-1-ol is CCC(O)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]propan-1-ol?
The InChIKey is BOJPCTBKDBYKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-2-9(13)7-4-3-5-8(6-7)14-10(11)12/h3-6,9-10,13H,2H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]propan-1-ol?
1-[3-(difluoromethoxy)phenyl]propan-1-ol has a molecular weight of 202.20 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 115787675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).