2-chloro-5-fluorobenzene-1,4-diol

C6H4ClFO2 — CID 45119169

IUPAC2-chloro-5-fluorobenzene-1,4-diol
SMILESOc1cc(Cl)c(O)cc1F
InChIInChI=1S/C6H4ClFO2/c7-3-1-6(10)4(8)2-5(3)9/h1-2,9-10H
InChIKeyZWHSFZYTWFNBSA-UHFFFAOYSA-N
MW162.55 g/mol
LogP1.89
Rot. Bonds

About 2-chloro-5-fluorobenzene-1,4-diol

2-chloro-5-fluorobenzene-1,4-diol (PubChem CID 45119169) has the molecular formula C6H4ClFO2 and a molecular weight of 162.55 g/mol. Its IUPAC name is 2-chloro-5-fluorobenzene-1,4-diol.

Molecular Properties

Compound Name2-chloro-5-fluorobenzene-1,4-diol
PubChem CID45119169
Molecular FormulaC6H4ClFO2
Molecular Weight162.55 g/mol
Exact Mass161.99
IUPAC Name2-chloro-5-fluorobenzene-1,4-diol
SMILESOc1cc(Cl)c(O)cc1F
InChIInChI=1S/C6H4ClFO2/c7-3-1-6(10)4(8)2-5(3)9/h1-2,9-10H
InChIKeyZWHSFZYTWFNBSA-UHFFFAOYSA-N
XLogP1.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.55
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-4-fluorophenol
CID 3535760
5-chloro-2-fluoro-4-methoxyphenol
CID 84655771
1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
CID 171003348
2-chloro-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84662920
4-chloro-5-[(2-chloro-4-fluoro-5-hydroxyphenyl)disulfanyl]-2-fluorophenol
CID 118316454
2,5-dichloro-4-(2-fluorophenyl)phenol
CID 107663319
2-chloro-5-(hydroxymethyl)benzene-1,4-diol
CID 55253170
1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one
CID 84671080
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal
CID 163848524
4-chloro-2-fluoro-5-methoxyphenol
CID 91801475
2-bromo-4-chloro-5-fluorophenol
CID 18997596
2,5-dichloro-4-(difluoromethyl)phenol
CID 119008857

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluorobenzene-1,4-diol?
The IUPAC name of 2-chloro-5-fluorobenzene-1,4-diol (CID 45119169) is 2-chloro-5-fluorobenzene-1,4-diol.
What is the SMILES notation for 2-chloro-5-fluorobenzene-1,4-diol?
The canonical SMILES for 2-chloro-5-fluorobenzene-1,4-diol is Oc1cc(Cl)c(O)cc1F.
What is the InChIKey of 2-chloro-5-fluorobenzene-1,4-diol?
The InChIKey is ZWHSFZYTWFNBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFO2/c7-3-1-6(10)4(8)2-5(3)9/h1-2,9-10H.
What are the key properties of 2-chloro-5-fluorobenzene-1,4-diol?
2-chloro-5-fluorobenzene-1,4-diol has a molecular weight of 162.55 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluorobenzene-1,4-diol is sourced from PubChem (CID 45119169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).