2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol

C10H12Cl2O — CID 70611022

IUPAC2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol
SMILESCc1cccc(Cl)c1CC(Cl)CO
InChIInChI=1S/C10H12Cl2O/c1-7-3-2-4-10(12)9(7)5-8(11)6-13/h2-4,8,13H,5-6H2,1H3
InChIKeyNQGIOYNHHUQDIR-UHFFFAOYSA-N
MW219.11 g/mol
LogP2.79
Rot. Bonds3

About 2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol

2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol (PubChem CID 70611022) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol
PubChem CID70611022
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol
SMILESCc1cccc(Cl)c1CC(Cl)CO
InChIInChI=1S/C10H12Cl2O/c1-7-3-2-4-10(12)9(7)5-8(11)6-13/h2-4,8,13H,5-6H2,1H3
InChIKeyNQGIOYNHHUQDIR-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-3-(2-chloro-6-methylphenyl)propyl] formate
CID 88798373
2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057630
3-(2,6-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 79435910
2-bromo-1-(2-chloro-6-methylphenyl)hexan-3-one
CID 66248813
(2R)-2-[1-(2,6-dichlorophenyl)propan-2-ylamino]propan-1-ol
CID 103846383
2-[(2-chloro-6-methylphenyl)methylamino]ethanol
CID 54352748
1-chloro-2-(2,2-dimethylpropyl)-3-methylbenzene
CID 118259234
2-(2-chloro-6-methylphenyl)ethanamine
CID 84731855
CID 140826953
CID 140826953
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol?
The IUPAC name of 2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol (CID 70611022) is 2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol?
The canonical SMILES for 2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol is Cc1cccc(Cl)c1CC(Cl)CO.
What is the InChIKey of 2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol?
The InChIKey is NQGIOYNHHUQDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-7-3-2-4-10(12)9(7)5-8(11)6-13/h2-4,8,13H,5-6H2,1H3.
What are the key properties of 2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol?
2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol has a molecular weight of 219.11 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-chloro-6-methylphenyl)propan-1-ol is sourced from PubChem (CID 70611022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).