6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol

C8H7ClF2O2 — CID 117298062

IUPAC6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol
SMILESCC(O)c1cc(Cl)c(O)c(F)c1F
InChIInChI=1S/C8H7ClF2O2/c1-3(12)4-2-5(9)8(13)7(11)6(4)10/h2-3,12-13H,1H3
InChIKeyCQAZFKDDEAJLET-UHFFFAOYSA-N
MW208.59 g/mol
LogP2.38
Rot. Bonds1

About 6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol

6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol (PubChem CID 117298062) has the molecular formula C8H7ClF2O2 and a molecular weight of 208.59 g/mol. Its IUPAC name is 6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol.

Molecular Properties

Compound Name6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol
PubChem CID117298062
Molecular FormulaC8H7ClF2O2
Molecular Weight208.59 g/mol
Exact Mass208.01
IUPAC Name6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol
SMILESCC(O)c1cc(Cl)c(O)c(F)c1F
InChIInChI=1S/C8H7ClF2O2/c1-3(12)4-2-5(9)8(13)7(11)6(4)10/h2-3,12-13H,1H3
InChIKeyCQAZFKDDEAJLET-UHFFFAOYSA-N
XLogP2.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.59
LogP ≤ 52.38
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

2-chloro-6-fluoro-5-(1-hydroxyethyl)-3-methylphenol
CID 117293030
2-chloro-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84662920
6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol
CID 117318846
1-(5-chloro-2,4-difluorophenyl)ethanol
CID 117283331
1-(4-chloro-2,3-difluorophenyl)ethanol
CID 164892643
1-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117113843
4-chloro-2,6-bis(1-hydroxyethyl)phenol
CID 21162833
4-(2-aminopropyl)-6-chloro-2,3-difluorophenol
CID 117317248
(1S)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712910
2-fluoro-3-(1-hydroxyethyl)-5-methylphenol
CID 117276803
(1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol
CID 58572415
2-fluoro-6-(1-hydroxyethyl)-3-methylphenol
CID 117276805

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol?
The IUPAC name of 6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol (CID 117298062) is 6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol.
What is the SMILES notation for 6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol?
The canonical SMILES for 6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol is CC(O)c1cc(Cl)c(O)c(F)c1F.
What is the InChIKey of 6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol?
The InChIKey is CQAZFKDDEAJLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O2/c1-3(12)4-2-5(9)8(13)7(11)6(4)10/h2-3,12-13H,1H3.
What are the key properties of 6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol?
6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol has a molecular weight of 208.59 g/mol, XLogP of 2.38, 1 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-(1-hydroxyethyl)phenol is sourced from PubChem (CID 117298062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).