3-(2,5-difluoro-4-methylphenyl)propan-1-ol

C10H12F2O — CID 117280446

IUPAC3-(2,5-difluoro-4-methylphenyl)propan-1-ol
SMILESCc1cc(F)c(CCCO)cc1F
InChIInChI=1S/C10H12F2O/c1-7-5-10(12)8(3-2-4-13)6-9(7)11/h5-6,13H,2-4H2,1H3
InChIKeyFDUFWIYFXUDPSG-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.20
Rot. Bonds3

About 3-(2,5-difluoro-4-methylphenyl)propan-1-ol

3-(2,5-difluoro-4-methylphenyl)propan-1-ol (PubChem CID 117280446) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,5-difluoro-4-methylphenyl)propan-1-ol
PubChem CID117280446
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name3-(2,5-difluoro-4-methylphenyl)propan-1-ol
SMILESCc1cc(F)c(CCCO)cc1F
InChIInChI=1S/C10H12F2O/c1-7-5-10(12)8(3-2-4-13)6-9(7)11/h5-6,13H,2-4H2,1H3
InChIKeyFDUFWIYFXUDPSG-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-difluoro-2-methyl-5-pentylbenzene
CID 58718854
2-(5-chloro-2-fluoro-4-methylphenyl)ethanol
CID 117281244
5-butyl-4-fluoro-2-methylphenol
CID 118092181
2-fluoro-6-(3-hydroxypropyl)-4-methylphenol
CID 117279810
3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378649
ethane;(5-fluoro-2,4-dimethylphenyl)methanol
CID 154686554
3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol
CID 117369472
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
6-(2,4-difluoro-5-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 79733100
3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol
CID 117286425
1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene
CID 134572668
3-(2,4-difluoro-3-methylphenyl)propan-1-ol
CID 66733705

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(2,5-difluoro-4-methylphenyl)propan-1-ol (CID 117280446) is 3-(2,5-difluoro-4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,5-difluoro-4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(2,5-difluoro-4-methylphenyl)propan-1-ol is Cc1cc(F)c(CCCO)cc1F.
What is the InChIKey of 3-(2,5-difluoro-4-methylphenyl)propan-1-ol?
The InChIKey is FDUFWIYFXUDPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-7-5-10(12)8(3-2-4-13)6-9(7)11/h5-6,13H,2-4H2,1H3.
What are the key properties of 3-(2,5-difluoro-4-methylphenyl)propan-1-ol?
3-(2,5-difluoro-4-methylphenyl)propan-1-ol has a molecular weight of 186.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-methylphenyl)propan-1-ol is sourced from PubChem (CID 117280446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).