1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one

C17H25ClO2 — CID 146249327

IUPAC1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one
SMILESCC(CCCC(C)(C)O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClO2/c1-13(5-4-12-17(2,3)20)6-11-16(19)14-7-9-15(18)10-8-14/h7-10,13,20H,4-6,11-12H2,1-3H3
InChIKeyZOEDCAWQEAMCFJ-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.88
Rot. Bonds8

About 1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one

1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one (PubChem CID 146249327) has the molecular formula C17H25ClO2 and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one
PubChem CID146249327
Molecular FormulaC17H25ClO2
Molecular Weight296.84 g/mol
Exact Mass296.15
IUPAC Name1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one
SMILESCC(CCCC(C)(C)O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClO2/c1-13(5-4-12-17(2,3)20)6-11-16(19)14-7-9-15(18)10-8-14/h7-10,13,20H,4-6,11-12H2,1-3H3
InChIKeyZOEDCAWQEAMCFJ-UHFFFAOYSA-N
XLogP4.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(Z)-5-(4-chlorophenyl)-2-methylhept-5-en-2-ol
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1-(4-chlorophenyl)heptan-1-one
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9-amino-2,6-dimethylnonan-2-ol
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5-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
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4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
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4-chloro-1-phenylpentan-1-one
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4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one (CID 146249327) is 1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one is CC(CCCC(C)(C)O)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one?
The InChIKey is ZOEDCAWQEAMCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO2/c1-13(5-4-12-17(2,3)20)6-11-16(19)14-7-9-15(18)10-8-14/h7-10,13,20H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one?
1-(4-chlorophenyl)-8-hydroxy-4,8-dimethylnonan-1-one has a molecular weight of 296.84 g/mol, XLogP of 4.88, 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-hydroxy-4,8-dimethylnonan-1-one is sourced from PubChem (CID 146249327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).