2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol

C10H12Cl2O3 — CID 164893079

IUPAC2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(O)C(Cl)Cl)c1
InChIInChI=1S/C10H12Cl2O3/c1-14-6-3-4-8(15-2)7(5-6)9(13)10(11)12/h3-5,9-10,13H,1-2H3
InChIKeyDJGSNSGFFKZZMS-UHFFFAOYSA-N
MW251.11 g/mol
LogP2.54
Rot. Bonds4

About 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol

2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol (PubChem CID 164893079) has the molecular formula C10H12Cl2O3 and a molecular weight of 251.11 g/mol. Its IUPAC name is 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
PubChem CID164893079
Molecular FormulaC10H12Cl2O3
Molecular Weight251.11 g/mol
Exact Mass250.02
IUPAC Name2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(O)C(Cl)Cl)c1
InChIInChI=1S/C10H12Cl2O3/c1-14-6-3-4-8(15-2)7(5-6)9(13)10(11)12/h3-5,9-10,13H,1-2H3
InChIKeyDJGSNSGFFKZZMS-UHFFFAOYSA-N
XLogP2.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 164892130
1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol
CID 164892127
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol
CID 164892247
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
CID 82988193
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 6080
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
1-chloro-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 116962039
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol (CID 164893079) is 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol is COc1ccc(OC)c(C(O)C(Cl)Cl)c1.
What is the InChIKey of 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol?
The InChIKey is DJGSNSGFFKZZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O3/c1-14-6-3-4-8(15-2)7(5-6)9(13)10(11)12/h3-5,9-10,13H,1-2H3.
What are the key properties of 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol?
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol has a molecular weight of 251.11 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 164893079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).