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

C10H12F2O — CID 117280430

IUPAC2-(2,3-difluoro-4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(C)CO)c(F)c1F
InChIInChI=1S/C10H12F2O/c1-6-3-4-8(7(2)5-13)10(12)9(6)11/h3-4,7,13H,5H2,1-2H3
InChIKeyOBISUTDYBFADEL-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.37
Rot. Bonds2

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

2-(2,3-difluoro-4-methylphenyl)propan-1-ol (PubChem CID 117280430) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2,3-difluoro-4-methylphenyl)propan-1-ol
PubChem CID117280430
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name2-(2,3-difluoro-4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(C)CO)c(F)c1F
InChIInChI=1S/C10H12F2O/c1-6-3-4-8(7(2)5-13)10(12)9(6)11/h3-4,7,13H,5H2,1-2H3
InChIKeyOBISUTDYBFADEL-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol
CID 137495606
2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 117297814
2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
CID 117411724
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
2-(5-chloro-2-fluoro-3-methylphenyl)propan-1-ol
CID 117291198
2-(3-methoxy-2,4-dimethylphenyl)propan-1-ol
CID 117284773
1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 107512869
1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
CID 107513182
2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol
CID 117401030
6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279608
[4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid
CID 59315407
2-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol
CID 117291192

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-methylphenyl)propan-1-ol?
The IUPAC name of 2-(2,3-difluoro-4-methylphenyl)propan-1-ol (CID 117280430) is 2-(2,3-difluoro-4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(2,3-difluoro-4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(2,3-difluoro-4-methylphenyl)propan-1-ol is Cc1ccc(C(C)CO)c(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-4-methylphenyl)propan-1-ol?
The InChIKey is OBISUTDYBFADEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-6-3-4-8(7(2)5-13)10(12)9(6)11/h3-4,7,13H,5H2,1-2H3.
What are the key properties of 2-(2,3-difluoro-4-methylphenyl)propan-1-ol?
2-(2,3-difluoro-4-methylphenyl)propan-1-ol has a molecular weight of 186.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-methylphenyl)propan-1-ol is sourced from PubChem (CID 117280430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).