1-(3,4-dichlorophenyl)pentan-1-ol

C11H14Cl2O — CID 12947385

IUPAC1-(3,4-dichlorophenyl)pentan-1-ol
SMILESCCCCC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2O/c1-2-3-4-11(14)8-5-6-9(12)10(13)7-8/h5-7,11,14H,2-4H2,1H3
InChIKeyWOFALSIAGLLIEF-UHFFFAOYSA-N
MW233.14 g/mol
LogP4.22
Rot. Bonds4

About 1-(3,4-dichlorophenyl)pentan-1-ol

1-(3,4-dichlorophenyl)pentan-1-ol (PubChem CID 12947385) has the molecular formula C11H14Cl2O and a molecular weight of 233.14 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)pentan-1-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)pentan-1-ol
PubChem CID12947385
Molecular FormulaC11H14Cl2O
Molecular Weight233.14 g/mol
Exact Mass232.04
IUPAC Name1-(3,4-dichlorophenyl)pentan-1-ol
SMILESCCCCC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2O/c1-2-3-4-11(14)8-5-6-9(12)10(13)7-8/h5-7,11,14H,2-4H2,1H3
InChIKeyWOFALSIAGLLIEF-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)pentan-1-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)pentan-1-ol (CID 12947385) is 1-(3,4-dichlorophenyl)pentan-1-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)pentan-1-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)pentan-1-ol is CCCCC(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)pentan-1-ol?
The InChIKey is WOFALSIAGLLIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O/c1-2-3-4-11(14)8-5-6-9(12)10(13)7-8/h5-7,11,14H,2-4H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)pentan-1-ol?
1-(3,4-dichlorophenyl)pentan-1-ol has a molecular weight of 233.14 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)pentan-1-ol is sourced from PubChem (CID 12947385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).