4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one

C16H23ClO2 — CID 15416358

IUPAC4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one
SMILESCCCCC(=O)C(CCC)C(O)c1ccccc1Cl
InChIInChI=1S/C16H23ClO2/c1-3-5-11-15(18)13(8-4-2)16(19)12-9-6-7-10-14(12)17/h6-7,9-10,13,16,19H,3-5,8,11H2,1-2H3
InChIKeyCRFLIBNWUFHODC-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.55
Rot. Bonds8

About 4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one

4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one (PubChem CID 15416358) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one
PubChem CID15416358
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one
SMILESCCCCC(=O)C(CCC)C(O)c1ccccc1Cl
InChIInChI=1S/C16H23ClO2/c1-3-5-11-15(18)13(8-4-2)16(19)12-9-6-7-10-14(12)17/h6-7,9-10,13,16,19H,3-5,8,11H2,1-2H3
InChIKeyCRFLIBNWUFHODC-UHFFFAOYSA-N
XLogP4.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
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1-(2-chlorophenyl)-2-methylpentan-1-ol
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1-(2-chlorophenyl)hexan-1-ol
CID 62606389
2-(2-chlorophenyl)-3-oxononanenitrile
CID 70593681
2-[(2-bromophenyl)-hydroxymethyl]pentanoic acid
CID 83043357
ethyl 2-[(2,6-dichlorophenyl)-hydroxymethyl]pentanoate
CID 83043683
ethyl 2-(2-chlorophenyl)hexanoate
CID 142202893
1-(2-chlorophenyl)-2-ethenylidenehexan-1-ol
CID 24879642
1-(2-chlorophenyl)pentyl acetate
CID 141200843
1-(2,6-dichlorophenyl)pentan-1-one
CID 83950203
1-chloro-2-(1-chlorobutyl)benzene
CID 18417584
1-chloro-2-(1-iodopentyl)benzene
CID 126727216

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one?
The IUPAC name of 4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one (CID 15416358) is 4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one.
What is the SMILES notation for 4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one?
The canonical SMILES for 4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one is CCCCC(=O)C(CCC)C(O)c1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one?
The InChIKey is CRFLIBNWUFHODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-3-5-11-15(18)13(8-4-2)16(19)12-9-6-7-10-14(12)17/h6-7,9-10,13,16,19H,3-5,8,11H2,1-2H3.
What are the key properties of 4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one?
4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one has a molecular weight of 282.81 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one is sourced from PubChem (CID 15416358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).