6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol

C9H9ClF2O2 — CID 117318846

IUPAC6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol
SMILESCC(O)Cc1cc(Cl)c(O)c(F)c1F
InChIInChI=1S/C9H9ClF2O2/c1-4(13)2-5-3-6(10)9(14)8(12)7(5)11/h3-4,13-14H,2H2,1H3
InChIKeyMVLFPCKIXKQMOA-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.25
Rot. Bonds2

About 6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol

6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol (PubChem CID 117318846) has the molecular formula C9H9ClF2O2 and a molecular weight of 222.62 g/mol. Its IUPAC name is 6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol.

Molecular Properties

Compound Name6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol
PubChem CID117318846
Molecular FormulaC9H9ClF2O2
Molecular Weight222.62 g/mol
Exact Mass222.03
IUPAC Name6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol
SMILESCC(O)Cc1cc(Cl)c(O)c(F)c1F
InChIInChI=1S/C9H9ClF2O2/c1-4(13)2-5-3-6(10)9(14)8(12)7(5)11/h3-4,13-14H,2H2,1H3
InChIKeyMVLFPCKIXKQMOA-UHFFFAOYSA-N
XLogP2.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminopropyl)-6-chloro-2,3-difluorophenol
CID 117317248
4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
CID 117293006
1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol
CID 117114545
4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
CID 117341360
6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol
CID 117298062
1-(4-bromo-2,3,5-trifluorophenyl)propan-2-ol
CID 117114546
2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol
CID 117308664
3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117291165
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
CID 117375107
1-(2,3,5-trifluoro-4-methylsulfonylphenyl)propan-2-ol
CID 117424014
1-(3-chloro-4-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311647

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol?
The IUPAC name of 6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol (CID 117318846) is 6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol.
What is the SMILES notation for 6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol?
The canonical SMILES for 6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol is CC(O)Cc1cc(Cl)c(O)c(F)c1F.
What is the InChIKey of 6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol?
The InChIKey is MVLFPCKIXKQMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O2/c1-4(13)2-5-3-6(10)9(14)8(12)7(5)11/h3-4,13-14H,2H2,1H3.
What are the key properties of 6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol?
6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol has a molecular weight of 222.62 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol is sourced from PubChem (CID 117318846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).