4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one

C15H22O2 — CID 64697542

IUPAC4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
SMILESCC(=O)CC(C)Oc1cc(C)cc(C(C)C)c1
InChIInChI=1S/C15H22O2/c1-10(2)14-6-11(3)7-15(9-14)17-13(5)8-12(4)16/h6-7,9-10,13H,8H2,1-5H3
InChIKeyRDHZPAKGZQPCFE-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.86
Rot. Bonds5

About 4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one

4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one (PubChem CID 64697542) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one.

Molecular Properties

Compound Name4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
PubChem CID64697542
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
SMILESCC(=O)CC(C)Oc1cc(C)cc(C(C)C)c1
InChIInChI=1S/C15H22O2/c1-10(2)14-6-11(3)7-15(9-14)17-13(5)8-12(4)16/h6-7,9-10,13H,8H2,1-5H3
InChIKeyRDHZPAKGZQPCFE-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylphenoxy)butanamide
CID 82077475
4-(3,5-difluorophenoxy)pentan-2-one
CID 64697141
4-(3,4,5-trimethoxyphenoxy)pentan-2-one
CID 113408873
(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
CID 23447077
4-(3,4-difluorophenoxy)pentan-2-one
CID 64698357
1-but-2-en-2-yloxy-3-methyl-5-propan-2-ylbenzene
CID 57053042
4-(4-chlorophenoxy)pentan-2-one
CID 64698945
1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 62044718
4-(4-ethylphenoxy)pentan-2-one
CID 64698154
4-(2-bromo-4-methylphenoxy)pentan-2-one
CID 64699329
methyl 3-(1-aminopropan-2-yloxy)-5-methylbenzoate
CID 135226502
(3-methyl-5-propan-2-ylphenyl) 3,5-dichlorobenzoate
CID 2445360

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one?
The IUPAC name of 4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one (CID 64697542) is 4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one.
What is the SMILES notation for 4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one?
The canonical SMILES for 4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one is CC(=O)CC(C)Oc1cc(C)cc(C(C)C)c1.
What is the InChIKey of 4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one?
The InChIKey is RDHZPAKGZQPCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10(2)14-6-11(3)7-15(9-14)17-13(5)8-12(4)16/h6-7,9-10,13H,8H2,1-5H3.
What are the key properties of 4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one?
4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one is sourced from PubChem (CID 64697542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).