1-(5-chloro-2-hydroxyphenyl)octan-1-one

C14H19ClO2 — CID 3917734

IUPAC1-(5-chloro-2-hydroxyphenyl)octan-1-one
SMILESCCCCCCCC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H19ClO2/c1-2-3-4-5-6-7-13(16)12-10-11(15)8-9-14(12)17/h8-10,17H,2-7H2,1H3
InChIKeyOCEZARKMSZFANJ-UHFFFAOYSA-N
MW254.76 g/mol
LogP4.59
Rot. Bonds7

About 1-(5-chloro-2-hydroxyphenyl)octan-1-one

1-(5-chloro-2-hydroxyphenyl)octan-1-one (PubChem CID 3917734) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)octan-1-one.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)octan-1-one
PubChem CID3917734
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-(5-chloro-2-hydroxyphenyl)octan-1-one
SMILESCCCCCCCC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H19ClO2/c1-2-3-4-5-6-7-13(16)12-10-11(15)8-9-14(12)17/h8-10,17H,2-7H2,1H3
InChIKeyOCEZARKMSZFANJ-UHFFFAOYSA-N
XLogP4.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 54.59
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

1-(5-chloro-2-fluorophenyl)octan-1-one
CID 114885192
7-bromo-1-(5-chloro-2-hydroxyphenyl)heptan-1-one
CID 18931140
6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one
CID 18931145
1-(2,5-dihydroxyphenyl)dodecan-1-one
CID 14443793
1-(5-dodecanoyl-2,4-dihydroxyphenyl)dodecan-1-one
CID 44588789
1-(2-hydroxy-5-methylphenyl)dodecan-1-one
CID 158719542
1-(5-chloro-2-hydroxyphenyl)-5-(dimethylamino)pentan-1-one
CID 160849157
1-(5-fluoro-2-hydroxyphenyl)octan-1-one
CID 86007473
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
1-(5-tert-butyl-2-hydroxyphenyl)dodecan-1-one
CID 5212255
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)octan-1-one?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)octan-1-one (CID 3917734) is 1-(5-chloro-2-hydroxyphenyl)octan-1-one.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)octan-1-one?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)octan-1-one is CCCCCCCC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)octan-1-one?
The InChIKey is OCEZARKMSZFANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-2-3-4-5-6-7-13(16)12-10-11(15)8-9-14(12)17/h8-10,17H,2-7H2,1H3.
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)octan-1-one?
1-(5-chloro-2-hydroxyphenyl)octan-1-one has a molecular weight of 254.76 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)octan-1-one is sourced from PubChem (CID 3917734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).