2-(4-chlorophenyl)pentan-2-ol

C11H15ClO — CID 23555553

IUPAC2-(4-chlorophenyl)pentan-2-ol
SMILESCCCC(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h4-7,13H,3,8H2,1-2H3
InChIKeyYTJRZRAYRYKPFN-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.35
Rot. Bonds3

About 2-(4-chlorophenyl)pentan-2-ol

2-(4-chlorophenyl)pentan-2-ol (PubChem CID 23555553) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)pentan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)pentan-2-ol
PubChem CID23555553
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name2-(4-chlorophenyl)pentan-2-ol
SMILESCCCC(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h4-7,13H,3,8H2,1-2H3
InChIKeyYTJRZRAYRYKPFN-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)pentan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)pentan-2-ol (CID 23555553) is 2-(4-chlorophenyl)pentan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)pentan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)pentan-2-ol is CCCC(C)(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)pentan-2-ol?
The InChIKey is YTJRZRAYRYKPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-3-8-11(2,13)9-4-6-10(12)7-5-9/h4-7,13H,3,8H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)pentan-2-ol?
2-(4-chlorophenyl)pentan-2-ol has a molecular weight of 198.69 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)pentan-2-ol is sourced from PubChem (CID 23555553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).