2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol

C12H16F2O3 — CID 84705649

IUPAC2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol
SMILESCOc1cc(C(F)F)cc(C(C)(C)O)c1OC
InChIInChI=1S/C12H16F2O3/c1-12(2,15)8-5-7(11(13)14)6-9(16-3)10(8)17-4/h5-6,11,15H,1-4H3
InChIKeyPQPHNJASSNPQNJ-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.87
Rot. Bonds4

About 2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol

2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol (PubChem CID 84705649) has the molecular formula C12H16F2O3 and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol
PubChem CID84705649
Molecular FormulaC12H16F2O3
Molecular Weight246.25 g/mol
Exact Mass246.11
IUPAC Name2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol
SMILESCOc1cc(C(F)F)cc(C(C)(C)O)c1OC
InChIInChI=1S/C12H16F2O3/c1-12(2,15)8-5-7(11(13)14)6-9(16-3)10(8)17-4/h5-6,11,15H,1-4H3
InChIKeyPQPHNJASSNPQNJ-UHFFFAOYSA-N
XLogP2.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-hydroxypropan-2-yl)-4,5-dimethoxybenzoate
CID 117388803
[5-(difluoromethyl)-2,3-dimethoxyphenyl]methanol
CID 84683414
2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol
CID 117353559
3-(2-hydroxypropan-2-yl)-4,5-dimethoxybenzonitrile
CID 117315572
2-[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]propan-2-ol
CID 117404583
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 84706691
1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine
CID 84706946
2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 117379543
2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
CID 165348100
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117449576
2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol
CID 117357814
2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332372

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol?
The IUPAC name of 2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol (CID 84705649) is 2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol.
What is the SMILES notation for 2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol?
The canonical SMILES for 2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol is COc1cc(C(F)F)cc(C(C)(C)O)c1OC.
What is the InChIKey of 2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol?
The InChIKey is PQPHNJASSNPQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O3/c1-12(2,15)8-5-7(11(13)14)6-9(16-3)10(8)17-4/h5-6,11,15H,1-4H3.
What are the key properties of 2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol?
2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol has a molecular weight of 246.25 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol is sourced from PubChem (CID 84705649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).