2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol

C10H12Cl2O2 — CID 116863695

IUPAC2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(C)Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2O2/c1-6(11)10(13)8-4-3-7(14-2)5-9(8)12/h3-6,10,13H,1-2H3
InChIKeyACRXGPSHMZRLRI-UHFFFAOYSA-N
MW235.11 g/mol
LogP3.01
Rot. Bonds3

About 2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol

2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol (PubChem CID 116863695) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is 2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
PubChem CID116863695
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(C)Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2O2/c1-6(11)10(13)8-4-3-7(14-2)5-9(8)12/h3-6,10,13H,1-2H3
InChIKeyACRXGPSHMZRLRI-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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

1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817734
1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol
CID 104521148
3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823843
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
2-(2-chloro-4-methoxyphenyl)-3-methylbutanoic acid
CID 82293515
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61081677
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine
CID 175883284
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene
CID 63434290
2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol
CID 164892247

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol (CID 116863695) is 2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol is COc1ccc(C(O)C(C)Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol?
The InChIKey is ACRXGPSHMZRLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c1-6(11)10(13)8-4-3-7(14-2)5-9(8)12/h3-6,10,13H,1-2H3.
What are the key properties of 2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol?
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol has a molecular weight of 235.11 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 116863695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).