1-(4-chlorophenyl)-8-hydroxyoctan-2-one

C14H19ClO2 — CID 57297680

IUPAC1-(4-chlorophenyl)-8-hydroxyoctan-2-one
SMILESO=C(CCCCCCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO2/c15-13-8-6-12(7-9-13)11-14(17)5-3-1-2-4-10-16/h6-9,16H,1-5,10-11H2
InChIKeyBSVVTHUVIDBENH-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.39
Rot. Bonds8

About 1-(4-chlorophenyl)-8-hydroxyoctan-2-one

1-(4-chlorophenyl)-8-hydroxyoctan-2-one (PubChem CID 57297680) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-8-hydroxyoctan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-8-hydroxyoctan-2-one
PubChem CID57297680
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-(4-chlorophenyl)-8-hydroxyoctan-2-one
SMILESO=C(CCCCCCO)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO2/c15-13-8-6-12(7-9-13)11-14(17)5-3-1-2-4-10-16/h6-9,16H,1-5,10-11H2
InChIKeyBSVVTHUVIDBENH-UHFFFAOYSA-N
XLogP3.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-1-(4-chlorophenyl)heptan-2-one
CID 116549885
1-(4-chlorophenyl)-3-hydroxypropan-2-one
CID 12071752
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1-(4-chlorophenyl)-5-methoxypentan-2-one
CID 62621697
5-hydroxy-1-(4-methylphenyl)pentan-2-one
CID 106677388
1-(4-chlorophenyl)-5-ethoxypentan-2-one
CID 105078038
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
7-amino-1-(4-hydroxyphenyl)heptan-2-one
CID 116550069
1-[4-(hydroxymethyl)phenyl]henicosan-2-one
CID 156644119
1-(4-chlorophenyl)butan-2-one
CID 39237509
1-(4-chlorophenyl)-5-thiophen-2-ylpentan-2-one
CID 61078054
1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one
CID 62503294

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-8-hydroxyoctan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-8-hydroxyoctan-2-one (CID 57297680) is 1-(4-chlorophenyl)-8-hydroxyoctan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-8-hydroxyoctan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-8-hydroxyoctan-2-one is O=C(CCCCCCO)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-8-hydroxyoctan-2-one?
The InChIKey is BSVVTHUVIDBENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c15-13-8-6-12(7-9-13)11-14(17)5-3-1-2-4-10-16/h6-9,16H,1-5,10-11H2.
What are the key properties of 1-(4-chlorophenyl)-8-hydroxyoctan-2-one?
1-(4-chlorophenyl)-8-hydroxyoctan-2-one has a molecular weight of 254.76 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-8-hydroxyoctan-2-one is sourced from PubChem (CID 57297680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).