1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol

C9H9ClF2O2 — CID 115819128

IUPAC1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol
SMILESCOCC(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C9H9ClF2O2/c1-14-4-9(13)5-2-8(12)6(10)3-7(5)11/h2-3,9,13H,4H2,1H3
InChIKeyUEIMFDOTOHUBHD-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.30
Rot. Bonds3

About 1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol

1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol (PubChem CID 115819128) has the molecular formula C9H9ClF2O2 and a molecular weight of 222.62 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol
PubChem CID115819128
Molecular FormulaC9H9ClF2O2
Molecular Weight222.62 g/mol
Exact Mass222.03
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol
SMILESCOCC(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C9H9ClF2O2/c1-14-4-9(13)5-2-8(12)6(10)3-7(5)11/h2-3,9,13H,4H2,1H3
InChIKeyUEIMFDOTOHUBHD-UHFFFAOYSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)butan-1-ol
CID 115780952
1-(4-chloro-2,5-difluorophenyl)-3-ethylpentan-1-ol
CID 115829819
1-(4-chloro-2,5-difluorophenyl)pent-3-yn-1-ol
CID 115780031
1-(4-chloro-2,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 115808880
3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785501
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832813
1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol
CID 115828495
1-(4-chloro-2,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780481
1-(4-chloro-2,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377673
1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol
CID 115791241
3-amino-1-(2,5-difluoro-4-methylphenyl)-4-methoxybutan-1-ol
CID 112629952
1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786109

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol (CID 115819128) is 1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol is COCC(O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol?
The InChIKey is UEIMFDOTOHUBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O2/c1-14-4-9(13)5-2-8(12)6(10)3-7(5)11/h2-3,9,13H,4H2,1H3.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol?
1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol has a molecular weight of 222.62 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol is sourced from PubChem (CID 115819128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).