4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol

C9H10ClFO2 — CID 117293006

IUPAC4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
SMILESCC(O)Cc1cc(Cl)c(F)cc1O
InChIInChI=1S/C9H10ClFO2/c1-5(12)2-6-3-7(10)8(11)4-9(6)13/h3-5,12-13H,2H2,1H3
InChIKeyNXUKJLQVJHCBPR-UHFFFAOYSA-N
MW204.63 g/mol
LogP2.11
Rot. Bonds2

About 4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol

4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol (PubChem CID 117293006) has the molecular formula C9H10ClFO2 and a molecular weight of 204.63 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol.

Molecular Properties

Compound Name4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
PubChem CID117293006
Molecular FormulaC9H10ClFO2
Molecular Weight204.63 g/mol
Exact Mass204.04
IUPAC Name4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
SMILESCC(O)Cc1cc(Cl)c(F)cc1O
InChIInChI=1S/C9H10ClFO2/c1-5(12)2-6-3-7(10)8(11)4-9(6)13/h3-5,12-13H,2H2,1H3
InChIKeyNXUKJLQVJHCBPR-UHFFFAOYSA-N
XLogP2.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-4-chloro-5-fluorophenol
CID 117292217
6-chloro-2,3-difluoro-4-(2-hydroxypropyl)phenol
CID 117318846
5-fluoro-2-(2-hydroxypropyl)-4-methoxyphenol
CID 117289277
2-chloro-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84662920
1-(4-chloro-2,3,5-trifluorophenyl)propan-2-ol
CID 117114545
4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
CID 117341360
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal
CID 163848524
1-(5-chloro-2,4-difluorophenyl)ethanol
CID 117283331
2,5-dichloro-4-fluorophenol
CID 3535760
1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol
CID 84777609
1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one
CID 84671080

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol?
The IUPAC name of 4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol (CID 117293006) is 4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol.
What is the SMILES notation for 4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol?
The canonical SMILES for 4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol is CC(O)Cc1cc(Cl)c(F)cc1O.
What is the InChIKey of 4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol?
The InChIKey is NXUKJLQVJHCBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO2/c1-5(12)2-6-3-7(10)8(11)4-9(6)13/h3-5,12-13H,2H2,1H3.
What are the key properties of 4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol?
4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol has a molecular weight of 204.63 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol is sourced from PubChem (CID 117293006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).