4-(3,4-dichlorophenyl)pentane-1,2-diol

C11H14Cl2O2 — CID 83931310

IUPAC4-(3,4-dichlorophenyl)pentane-1,2-diol
SMILESCC(CC(O)CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2O2/c1-7(4-9(15)6-14)8-2-3-10(12)11(13)5-8/h2-3,5,7,9,14-15H,4,6H2,1H3
InChIKeyMOKBTDOPLYIOMP-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.84
Rot. Bonds4

About 4-(3,4-dichlorophenyl)pentane-1,2-diol

4-(3,4-dichlorophenyl)pentane-1,2-diol (PubChem CID 83931310) has the molecular formula C11H14Cl2O2 and a molecular weight of 249.14 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)pentane-1,2-diol.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)pentane-1,2-diol
PubChem CID83931310
Molecular FormulaC11H14Cl2O2
Molecular Weight249.14 g/mol
Exact Mass248.04
IUPAC Name4-(3,4-dichlorophenyl)pentane-1,2-diol
SMILESCC(CC(O)CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2O2/c1-7(4-9(15)6-14)8-2-3-10(12)11(13)5-8/h2-3,5,7,9,14-15H,4,6H2,1H3
InChIKeyMOKBTDOPLYIOMP-UHFFFAOYSA-N
XLogP2.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-3-methylphenyl)pentane-1,2-diol
CID 83937440
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
(2R,5S)-5-(3,4-dichlorophenyl)-3,3-dimethylhexane-1,2-diol
CID 167110393
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
2-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 82082656
4-(4-methoxyphenyl)pentane-1,2-diol
CID 83932154
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
CID 93082510
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)pentane-1,2-diol?
The IUPAC name of 4-(3,4-dichlorophenyl)pentane-1,2-diol (CID 83931310) is 4-(3,4-dichlorophenyl)pentane-1,2-diol.
What is the SMILES notation for 4-(3,4-dichlorophenyl)pentane-1,2-diol?
The canonical SMILES for 4-(3,4-dichlorophenyl)pentane-1,2-diol is CC(CC(O)CO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)pentane-1,2-diol?
The InChIKey is MOKBTDOPLYIOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O2/c1-7(4-9(15)6-14)8-2-3-10(12)11(13)5-8/h2-3,5,7,9,14-15H,4,6H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)pentane-1,2-diol?
4-(3,4-dichlorophenyl)pentane-1,2-diol has a molecular weight of 249.14 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)pentane-1,2-diol is sourced from PubChem (CID 83931310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).