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

C16H24O2 — CID 83942149

IUPAC5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one
SMILESCCCOc1c(C)cc(C)cc1CCCC(C)=O
InChIInChI=1S/C16H24O2/c1-5-9-18-16-13(3)10-12(2)11-15(16)8-6-7-14(4)17/h10-11H,5-9H2,1-4H3
InChIKeyWSHAFCVELJBVMZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.00
Rot. Bonds7

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

5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one (PubChem CID 83942149) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one
PubChem CID83942149
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one
SMILESCCCOc1c(C)cc(C)cc1CCCC(C)=O
InChIInChI=1S/C16H24O2/c1-5-9-18-16-13(3)10-12(2)11-15(16)8-6-7-14(4)17/h10-11H,5-9H2,1-4H3
InChIKeyWSHAFCVELJBVMZ-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid
CID 82053234
2-(3,5-dimethyl-2-propoxyphenyl)ethanamine
CID 82053274
5-(3,5-dimethyl-2-propoxyphenyl)-4-methylpentan-2-one
CID 83942194
5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one
CID 83940685
1-(3,5-dimethyl-2-propoxyphenyl)hexane-3,4-diol
CID 83942267
methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83942262
2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane
CID 83942245
methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate
CID 82551916
1-(3-bromopropyl)-2-ethoxy-3,5-dimethylbenzene
CID 83942023
1-(2-methyl-4-propoxyphenyl)heptan-4-one
CID 83936884
1-(3-iodo-5-methyl-4-propoxyphenyl)pentane-1,4-dione
CID 21348780
5-[3-methyl-5-(4-oxopentoxy)phenoxy]pentan-2-one
CID 102453718

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one?
The IUPAC name of 5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one (CID 83942149) is 5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one?
The canonical SMILES for 5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one is CCCOc1c(C)cc(C)cc1CCCC(C)=O.
What is the InChIKey of 5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one?
The InChIKey is WSHAFCVELJBVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-9-18-16-13(3)10-12(2)11-15(16)8-6-7-14(4)17/h10-11H,5-9H2,1-4H3.
What are the key properties of 5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one?
5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one has a molecular weight of 248.37 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one is sourced from PubChem (CID 83942149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).