2-(4-propan-2-yloxyphenyl)pentan-3-one

C14H20O2 — CID 79308465

IUPAC2-(4-propan-2-yloxyphenyl)pentan-3-one
SMILESCCC(=O)C(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20O2/c1-5-14(15)11(4)12-6-8-13(9-7-12)16-10(2)3/h6-11H,5H2,1-4H3
InChIKeySQLRBGVGRPQIFW-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.56
Rot. Bonds5

About 2-(4-propan-2-yloxyphenyl)pentan-3-one

2-(4-propan-2-yloxyphenyl)pentan-3-one (PubChem CID 79308465) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)pentan-3-one.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)pentan-3-one
PubChem CID79308465
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(4-propan-2-yloxyphenyl)pentan-3-one
SMILESCCC(=O)C(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H20O2/c1-5-14(15)11(4)12-6-8-13(9-7-12)16-10(2)3/h6-11H,5H2,1-4H3
InChIKeySQLRBGVGRPQIFW-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-1-(4-propan-2-yloxyphenyl)butan-2-one
CID 82161492
1-(4-propan-2-yloxyphenyl)-1-propoxybutan-2-one
CID 83225636
2-(4-aminophenyl)pentan-3-one
CID 130817117
1-methoxy-1-(4-propan-2-yloxyphenyl)pentan-2-one
CID 83226792
4-(3-oxopentan-2-yl)benzonitrile
CID 137429446
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 4201753
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
ethyl 2-(ethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932724
ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 116914253
(4-propan-2-yloxyphenyl)methyl propanoate
CID 130434136
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 2939109

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)pentan-3-one?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)pentan-3-one (CID 79308465) is 2-(4-propan-2-yloxyphenyl)pentan-3-one.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)pentan-3-one?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)pentan-3-one is CCC(=O)C(C)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)pentan-3-one?
The InChIKey is SQLRBGVGRPQIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-14(15)11(4)12-6-8-13(9-7-12)16-10(2)3/h6-11H,5H2,1-4H3.
What are the key properties of 2-(4-propan-2-yloxyphenyl)pentan-3-one?
2-(4-propan-2-yloxyphenyl)pentan-3-one has a molecular weight of 220.31 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)pentan-3-one is sourced from PubChem (CID 79308465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).