2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol

C9H9Cl2FO2 — CID 164892130

IUPAC2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(F)cc1C(O)C(Cl)Cl
InChIInChI=1S/C9H9Cl2FO2/c1-14-7-3-2-5(12)4-6(7)8(13)9(10)11/h2-4,8-9,13H,1H3
InChIKeyGSKNANVNZRVDCC-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.67
Rot. Bonds3

About 2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol

2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol (PubChem CID 164892130) has the molecular formula C9H9Cl2FO2 and a molecular weight of 239.07 g/mol. Its IUPAC name is 2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol
PubChem CID164892130
Molecular FormulaC9H9Cl2FO2
Molecular Weight239.07 g/mol
Exact Mass238.00
IUPAC Name2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(F)cc1C(O)C(Cl)Cl
InChIInChI=1S/C9H9Cl2FO2/c1-14-7-3-2-5(12)4-6(7)8(13)9(10)11/h2-4,8-9,13H,1H3
InChIKeyGSKNANVNZRVDCC-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
3-bromo-1-(5-fluoro-2-methoxyphenyl)propane-1,2-diol
CID 171859876
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol
CID 164892127
1-(5-fluoro-2-methoxyphenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711840
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916
2-(1-chloro-2,2-difluoroethyl)-4-fluoro-1-methoxybenzene
CID 103514435
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene
CID 61086434
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol?
The IUPAC name of 2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol (CID 164892130) is 2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol?
The canonical SMILES for 2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol is COc1ccc(F)cc1C(O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol?
The InChIKey is GSKNANVNZRVDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FO2/c1-14-7-3-2-5(12)4-6(7)8(13)9(10)11/h2-4,8-9,13H,1H3.
What are the key properties of 2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol?
2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol has a molecular weight of 239.07 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 164892130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).