1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one

C14H19ClO — CID 83988511

IUPAC1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one
SMILESCCCCC(=O)c1cc(C(C)C)ccc1Cl
InChIInChI=1S/C14H19ClO/c1-4-5-6-14(16)12-9-11(10(2)3)7-8-13(12)15/h7-10H,4-6H2,1-3H3
InChIKeyZTOBHSSVAATGFM-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.84
Rot. Bonds5

About 1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one

1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one (PubChem CID 83988511) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one.

Molecular Properties

Compound Name1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one
PubChem CID83988511
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one
SMILESCCCCC(=O)c1cc(C(C)C)ccc1Cl
InChIInChI=1S/C14H19ClO/c1-4-5-6-14(16)12-9-11(10(2)3)7-8-13(12)15/h7-10H,4-6H2,1-3H3
InChIKeyZTOBHSSVAATGFM-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2,4-di(propan-2-yl)phenyl]hexan-1-one
CID 43338073
1-(5-tert-butyl-2-chlorophenyl)pentan-1-one
CID 83988564
1-[2,4-di(propan-2-yl)phenyl]octan-1-one
CID 63492659
1-(2-chloro-5-propan-2-ylphenyl)ethanone
CID 83988508
1-(2-chloro-4,5-dimethylphenyl)pentan-1-one
CID 83957886
1-(2-chloro-4,5-difluorophenyl)pentan-1-one
CID 15001812
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
1-(2-chloro-5-fluorophenyl)octan-1-one
CID 105396697
1-[4-(N-(4-pentanoylphenyl)-4-propan-2-ylanilino)phenyl]pentan-1-one
CID 118530705
5-oxo-5-(4-propan-2-ylphenyl)pentanoate
CID 7022366
1-(5-chloro-2-fluorophenyl)pentan-1-one
CID 83988319
1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one
CID 83988373

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one?
The IUPAC name of 1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one (CID 83988511) is 1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one.
What is the SMILES notation for 1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one?
The canonical SMILES for 1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one is CCCCC(=O)c1cc(C(C)C)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one?
The InChIKey is ZTOBHSSVAATGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-4-5-6-14(16)12-9-11(10(2)3)7-8-13(12)15/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one?
1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one has a molecular weight of 238.76 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-propan-2-ylphenyl)pentan-1-one is sourced from PubChem (CID 83988511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).