2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol

C10H12Cl2O2 — CID 164892247

IUPAC2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol
SMILESCOc1ccc(C(O)C(Cl)Cl)c(C)c1
InChIInChI=1S/C10H12Cl2O2/c1-6-5-7(14-2)3-4-8(6)9(13)10(11)12/h3-5,9-10,13H,1-2H3
InChIKeyKMXLLVFRUHCSSD-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.84
Rot. Bonds3

About 2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol

2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol (PubChem CID 164892247) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is 2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol
PubChem CID164892247
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol
SMILESCOc1ccc(C(O)C(Cl)Cl)c(C)c1
InChIInChI=1S/C10H12Cl2O2/c1-6-5-7(14-2)3-4-8(6)9(13)10(11)12/h3-5,9-10,13H,1-2H3
InChIKeyKMXLLVFRUHCSSD-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.84
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-(4-methoxy-2-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

2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
CID 170823897
2-methoxy-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
CID 116711995
1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-ol
CID 113422305
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
(2,5-dimethylphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101284
1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 61084322
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
1-(5-methoxy-2-methylphenyl)ethanol
CID 84652412
S-[2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propyl] ethanethioate
CID 170821864
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol?
The IUPAC name of 2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol (CID 164892247) is 2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol.
What is the SMILES notation for 2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol?
The canonical SMILES for 2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol is COc1ccc(C(O)C(Cl)Cl)c(C)c1.
What is the InChIKey of 2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol?
The InChIKey is KMXLLVFRUHCSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c1-6-5-7(14-2)3-4-8(6)9(13)10(11)12/h3-5,9-10,13H,1-2H3.
What are the key properties of 2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol?
2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol has a molecular weight of 235.11 g/mol, XLogP of 2.84, 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-(4-methoxy-2-methylphenyl)ethanol is sourced from PubChem (CID 164892247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).