2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol

C10H11Cl2FO2 — CID 171367447

IUPAC2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc(C)c(F)c1C(O)C(Cl)Cl
InChIInChI=1S/C10H11Cl2FO2/c1-5-3-4-6(15-2)7(8(5)13)9(14)10(11)12/h3-4,9-10,14H,1-2H3
InChIKeyROHBZCFSIGHSBJ-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.98
Rot. Bonds3

About 2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol

2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol (PubChem CID 171367447) has the molecular formula C10H11Cl2FO2 and a molecular weight of 253.10 g/mol. Its IUPAC name is 2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol
PubChem CID171367447
Molecular FormulaC10H11Cl2FO2
Molecular Weight253.10 g/mol
Exact Mass252.01
IUPAC Name2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc(C)c(F)c1C(O)C(Cl)Cl
InChIInChI=1S/C10H11Cl2FO2/c1-5-3-4-6(15-2)7(8(5)13)9(14)10(11)12/h3-4,9-10,14H,1-2H3
InChIKeyROHBZCFSIGHSBJ-UHFFFAOYSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol
CID 164892359
2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 164892130
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 82816107
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115829313
1-(2,3-difluoro-6-methoxyphenyl)ethanol
CID 58022414
2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 164892453
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 115838581
1-[2-(2-fluoro-3-methylphenoxy)-6-methoxyphenyl]ethanol
CID 107659175
2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone
CID 171018656
2-fluoro-6-methoxy-3-methylaniline
CID 84763578
2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol
CID 164892247

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol?
The IUPAC name of 2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol (CID 171367447) is 2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol.
What is the SMILES notation for 2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol?
The canonical SMILES for 2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol is COc1ccc(C)c(F)c1C(O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol?
The InChIKey is ROHBZCFSIGHSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FO2/c1-5-3-4-6(15-2)7(8(5)13)9(14)10(11)12/h3-4,9-10,14H,1-2H3.
What are the key properties of 2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol?
2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol has a molecular weight of 253.10 g/mol, XLogP of 2.98, 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-(2-fluoro-6-methoxy-3-methylphenyl)ethanol is sourced from PubChem (CID 171367447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).