6-(3-chlorophenyl)hexan-3-one

C12H15ClO — CID 64520537

IUPAC6-(3-chlorophenyl)hexan-3-one
SMILESCCC(=O)CCCc1cccc(Cl)c1
InChIInChI=1S/C12H15ClO/c1-2-12(14)8-4-6-10-5-3-7-11(13)9-10/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyHLEKGCATBXKDJC-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.64
Rot. Bonds5

About 6-(3-chlorophenyl)hexan-3-one

6-(3-chlorophenyl)hexan-3-one (PubChem CID 64520537) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 6-(3-chlorophenyl)hexan-3-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)hexan-3-one
PubChem CID64520537
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name6-(3-chlorophenyl)hexan-3-one
SMILESCCC(=O)CCCc1cccc(Cl)c1
InChIInChI=1S/C12H15ClO/c1-2-12(14)8-4-6-10-5-3-7-11(13)9-10/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyHLEKGCATBXKDJC-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-fluorophenyl)hexan-3-one
CID 64521140
6-(3-chlorophenyl)-2,2-dimethylhexan-3-one
CID 64505258
ethyl 5-(3-chlorophenyl)-2-methylidenepentanoate
CID 12932093
ethyl (2E)-5-(3-chlorophenyl)-2-hydroxyiminopentanoate
CID 18370564
1-chloro-3-octylbenzene
CID 11458768
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
3-(3-chlorophenyl)propanoate
CID 6946708
2-(3-chlorophenyl)ethyl pentanoate
CID 141256814
7-(3-propoxyphenyl)heptan-3-one
CID 157062342
5-(3-chlorophenyl)-2-ethoxycarbonylpentanoic acid
CID 54177439
6-amino-1-(3-chlorophenyl)hexan-2-one
CID 116571976
1-(3-chlorophenyl)-4-methylhexan-2-one
CID 62621128

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)hexan-3-one?
The IUPAC name of 6-(3-chlorophenyl)hexan-3-one (CID 64520537) is 6-(3-chlorophenyl)hexan-3-one.
What is the SMILES notation for 6-(3-chlorophenyl)hexan-3-one?
The canonical SMILES for 6-(3-chlorophenyl)hexan-3-one is CCC(=O)CCCc1cccc(Cl)c1.
What is the InChIKey of 6-(3-chlorophenyl)hexan-3-one?
The InChIKey is HLEKGCATBXKDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-2-12(14)8-4-6-10-5-3-7-11(13)9-10/h3,5,7,9H,2,4,6,8H2,1H3.
What are the key properties of 6-(3-chlorophenyl)hexan-3-one?
6-(3-chlorophenyl)hexan-3-one has a molecular weight of 210.70 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)hexan-3-one is sourced from PubChem (CID 64520537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).