5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one

C16H23ClO2 — CID 83940685

IUPAC5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one
SMILESCCCOc1c(C)cc(Cl)c(C)c1CCCC(C)=O
InChIInChI=1S/C16H23ClO2/c1-5-9-19-16-11(2)10-15(17)13(4)14(16)8-6-7-12(3)18/h10H,5-9H2,1-4H3
InChIKeyXBDWWDVFVHIFFX-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.66
Rot. Bonds7

About 5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one

5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one (PubChem CID 83940685) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one.

Molecular Properties

Compound Name5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one
PubChem CID83940685
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one
SMILESCCCOc1c(C)cc(Cl)c(C)c1CCCC(C)=O
InChIInChI=1S/C16H23ClO2/c1-5-9-19-16-11(2)10-15(17)13(4)14(16)8-6-7-12(3)18/h10H,5-9H2,1-4H3
InChIKeyXBDWWDVFVHIFFX-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene
CID 83940767
5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one
CID 83942149
6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
CID 83940616
3-chloro-2,5-dimethyl-6-propoxybenzoic acid
CID 82266755
1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine
CID 82552354
1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine
CID 83940725
5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one
CID 83939411
4-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-methylbutanethioamide
CID 83940733
1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-one
CID 82266724
4-(3-chloro-2,5-dimethyl-6-propoxyphenyl)heptan-1-amine
CID 83940695
1-(3-iodo-5-methyl-4-propoxyphenyl)pentane-1,4-dione
CID 21348780
6-(2,3,4,5,6-pentachlorophenoxy)hexan-2-one
CID 55221058

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one?
The IUPAC name of 5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one (CID 83940685) is 5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one.
What is the SMILES notation for 5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one?
The canonical SMILES for 5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one is CCCOc1c(C)cc(Cl)c(C)c1CCCC(C)=O.
What is the InChIKey of 5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one?
The InChIKey is XBDWWDVFVHIFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-5-9-19-16-11(2)10-15(17)13(4)14(16)8-6-7-12(3)18/h10H,5-9H2,1-4H3.
What are the key properties of 5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one?
5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one has a molecular weight of 282.81 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one is sourced from PubChem (CID 83940685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).