5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one

C18H28O2 — CID 83934635

IUPAC5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one
SMILESCC(=O)CCCc1ccc(OCC(C)C)c(C(C)C)c1
InChIInChI=1S/C18H28O2/c1-13(2)12-20-18-10-9-16(8-6-7-15(5)19)11-17(18)14(3)4/h9-11,13-14H,6-8,12H2,1-5H3
InChIKeyIZWYNXYUDWVJAB-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.76
Rot. Bonds8

About 5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one

5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one (PubChem CID 83934635) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one.

Molecular Properties

Compound Name5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one
PubChem CID83934635
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one
SMILESCC(=O)CCCc1ccc(OCC(C)C)c(C(C)C)c1
InChIInChI=1S/C18H28O2/c1-13(2)12-20-18-10-9-16(8-6-7-15(5)19)11-17(18)14(3)4/h9-11,13-14H,6-8,12H2,1-5H3
InChIKeyIZWYNXYUDWVJAB-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]butan-1-amine
CID 83934697
2-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]propane-1,3-diol
CID 83934685
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
6-(4-bromo-2-propan-2-ylphenoxy)hexan-2-one
CID 113302989
6-[[4-(2-methylpropoxy)-3-propan-2-ylphenyl]methyl]pyridine-3-carboxylic acid
CID 167687017
2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane
CID 83934727
3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid
CID 83958259
7-[2-chloro-3-(2-methylpropoxy)phenyl]heptan-2-one
CID 155188411
4-[4-(2-methylpropoxy)phenyl]butanoic acid
CID 82050407
4-(4-methoxy-3-propan-2-ylphenyl)butanethioamide
CID 83926834
ethane;4-[3-(2-methylpropoxy)phenyl]butan-2-one
CID 176935151
1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
CID 163377100

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one?
The IUPAC name of 5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one (CID 83934635) is 5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one.
What is the SMILES notation for 5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one?
The canonical SMILES for 5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one is CC(=O)CCCc1ccc(OCC(C)C)c(C(C)C)c1.
What is the InChIKey of 5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one?
The InChIKey is IZWYNXYUDWVJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-13(2)12-20-18-10-9-16(8-6-7-15(5)19)11-17(18)14(3)4/h9-11,13-14H,6-8,12H2,1-5H3.
What are the key properties of 5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one?
5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one has a molecular weight of 276.42 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one is sourced from PubChem (CID 83934635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).