1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one

C14H18Cl2O2 — CID 21284637

IUPAC1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one
SMILESCCCCCCCC(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H18Cl2O2/c1-2-3-4-5-6-7-13(17)11-8-10(15)9-12(16)14(11)18/h8-9,18H,2-7H2,1H3
InChIKeyIWTYIJDYENEWIK-UHFFFAOYSA-N
MW289.20 g/mol
LogP5.24
Rot. Bonds7

About 1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one

1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one (PubChem CID 21284637) has the molecular formula C14H18Cl2O2 and a molecular weight of 289.20 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one.

Molecular Properties

Compound Name1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one
PubChem CID21284637
Molecular FormulaC14H18Cl2O2
Molecular Weight289.20 g/mol
Exact Mass288.07
IUPAC Name1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one
SMILESCCCCCCCC(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H18Cl2O2/c1-2-3-4-5-6-7-13(17)11-8-10(15)9-12(16)14(11)18/h8-9,18H,2-7H2,1H3
InChIKeyIWTYIJDYENEWIK-UHFFFAOYSA-N
XLogP5.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.20
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-hydroxyphenyl)octan-1-one
CID 3917734
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
1-(5-chloro-2-fluorophenyl)octan-1-one
CID 114885192
1-(3,5-dichloro-2-pyridinyl)decan-1-one
CID 79786254
N-(3,5-dichloro-2-hydroxyphenyl)decanamide
CID 107675883
1-(2-chloro-4,5-dimethylphenyl)nonan-1-one
CID 115483569
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
1-(2-chloro-4,5-difluorophenyl)nonan-1-one
CID 107475835
1-(5-dodecanoyl-2,4-dihydroxyphenyl)dodecan-1-one
CID 44588789
1-(4-chloro-2,5-difluorophenyl)undecan-1-one
CID 114968948
1-(2-chloro-5-fluorophenyl)octan-1-one
CID 105396697
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one?
The IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one (CID 21284637) is 1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one.
What is the SMILES notation for 1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one?
The canonical SMILES for 1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one is CCCCCCCC(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one?
The InChIKey is IWTYIJDYENEWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O2/c1-2-3-4-5-6-7-13(17)11-8-10(15)9-12(16)14(11)18/h8-9,18H,2-7H2,1H3.
What are the key properties of 1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one?
1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one has a molecular weight of 289.20 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one is sourced from PubChem (CID 21284637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).