2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol

C11H14Cl2O3 — CID 66037184

IUPAC2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)C(C)(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2O3/c1-11(14,10(15-2)16-3)7-5-4-6-8(12)9(7)13/h4-6,10,14H,1-3H3
InChIKeyFDAGMVHGBOFQPT-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.82
Rot. Bonds4

About 2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol

2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol (PubChem CID 66037184) has the molecular formula C11H14Cl2O3 and a molecular weight of 265.14 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol
PubChem CID66037184
Molecular FormulaC11H14Cl2O3
Molecular Weight265.14 g/mol
Exact Mass264.03
IUPAC Name2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)C(C)(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2O3/c1-11(14,10(15-2)16-3)7-5-4-6-8(12)9(7)13/h4-6,10,14H,1-3H3
InChIKeyFDAGMVHGBOFQPT-UHFFFAOYSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(2,3-dichlorophenyl)butan-2-ol
CID 130574322
2-(7-chloro-1-benzofuran-2-yl)-1,1-dimethoxypropan-2-ol
CID 114724129
1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol
CID 104658806
1-(2,3-dichlorophenyl)-2-methylbutane-1,2-diol
CID 103448708
1-(2,3-dichlorophenyl)-1-(4-fluorophenyl)ethanol
CID 55116262
2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol
CID 91657388
1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)ethanol
CID 63407186
2-(2,3-dichlorophenyl)-2-methylpropanal
CID 131011791
2-(2-chlorophenyl)propan-2-ol
CID 12759846
1-(2,3-dichlorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 63411078
2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 57455746
(2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine
CID 115851470

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol?
The IUPAC name of 2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol (CID 66037184) is 2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol is COC(OC)C(C)(O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol?
The InChIKey is FDAGMVHGBOFQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O3/c1-11(14,10(15-2)16-3)7-5-4-6-8(12)9(7)13/h4-6,10,14H,1-3H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol?
2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol has a molecular weight of 265.14 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol is sourced from PubChem (CID 66037184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).