4-(2,4-dichlorophenyl)butane-1,2-diol

C10H12Cl2O2 — CID 57073476

IUPAC4-(2,4-dichlorophenyl)butane-1,2-diol
SMILESOCC(O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2O2/c11-8-3-1-7(10(12)5-8)2-4-9(14)6-13/h1,3,5,9,13-14H,2,4,6H2
InChIKeyLYZWLQUECZURFY-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.28
Rot. Bonds4

About 4-(2,4-dichlorophenyl)butane-1,2-diol

4-(2,4-dichlorophenyl)butane-1,2-diol (PubChem CID 57073476) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)butane-1,2-diol
PubChem CID57073476
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name4-(2,4-dichlorophenyl)butane-1,2-diol
SMILESOCC(O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2O2/c11-8-3-1-7(10(12)5-8)2-4-9(14)6-13/h1,3,5,9,13-14H,2,4,6H2
InChIKeyLYZWLQUECZURFY-UHFFFAOYSA-N
XLogP2.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
(2S)-3-[(2,4-dichlorophenyl)methylsulfonyl]propane-1,2-diol
CID 95973022
4-amino-1-(2,4-dichlorophenyl)heptan-3-ol
CID 83928392
4-(2,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67212453
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62963527
4-(2,4-dichlorophenyl)-2-methylbutanenitrile
CID 57027165
1-(2,4-dichlorophenyl)hexan-3-amine
CID 43370461
dideuterio-(2,4-dichlorophenyl)methanol
CID 71751981
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)butane-1,2-diol?
The IUPAC name of 4-(2,4-dichlorophenyl)butane-1,2-diol (CID 57073476) is 4-(2,4-dichlorophenyl)butane-1,2-diol.
What is the SMILES notation for 4-(2,4-dichlorophenyl)butane-1,2-diol?
The canonical SMILES for 4-(2,4-dichlorophenyl)butane-1,2-diol is OCC(O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)butane-1,2-diol?
The InChIKey is LYZWLQUECZURFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c11-8-3-1-7(10(12)5-8)2-4-9(14)6-13/h1,3,5,9,13-14H,2,4,6H2.
What are the key properties of 4-(2,4-dichlorophenyl)butane-1,2-diol?
4-(2,4-dichlorophenyl)butane-1,2-diol has a molecular weight of 235.11 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)butane-1,2-diol is sourced from PubChem (CID 57073476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).