2-(4-propoxyphenyl)pentan-3-one

C14H20O2 — CID 79307354

IUPAC2-(4-propoxyphenyl)pentan-3-one
SMILESCCCOc1ccc(C(C)C(=O)CC)cc1
InChIInChI=1S/C14H20O2/c1-4-10-16-13-8-6-12(7-9-13)11(3)14(15)5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyFNHNKVBBVITMKY-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.56
Rot. Bonds6

About 2-(4-propoxyphenyl)pentan-3-one

2-(4-propoxyphenyl)pentan-3-one (PubChem CID 79307354) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(4-propoxyphenyl)pentan-3-one.

Molecular Properties

Compound Name2-(4-propoxyphenyl)pentan-3-one
PubChem CID79307354
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(4-propoxyphenyl)pentan-3-one
SMILESCCCOc1ccc(C(C)C(=O)CC)cc1
InChIInChI=1S/C14H20O2/c1-4-10-16-13-8-6-12(7-9-13)11(3)14(15)5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyFNHNKVBBVITMKY-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

2-(4-propan-2-yloxyphenyl)pentan-3-one
CID 79308465
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018
2-chloro-2-(4-propoxyphenyl)acetic acid
CID 82288302
methyl 2-(4-pentoxyphenyl)propanoate
CID 69403046
2-(4-aminophenyl)pentan-3-one
CID 130817117
2-[4-[2-(2-methyl-4-propoxyphenyl)ethynyl]phenyl]hexan-3-one
CID 161150482
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
4-(3-oxopentan-2-yl)benzonitrile
CID 137429446
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
1-(4-propoxyphenyl)prop-2-yn-1-ol
CID 18175407
2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 112512140

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenyl)pentan-3-one?
The IUPAC name of 2-(4-propoxyphenyl)pentan-3-one (CID 79307354) is 2-(4-propoxyphenyl)pentan-3-one.
What is the SMILES notation for 2-(4-propoxyphenyl)pentan-3-one?
The canonical SMILES for 2-(4-propoxyphenyl)pentan-3-one is CCCOc1ccc(C(C)C(=O)CC)cc1.
What is the InChIKey of 2-(4-propoxyphenyl)pentan-3-one?
The InChIKey is FNHNKVBBVITMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-10-16-13-8-6-12(7-9-13)11(3)14(15)5-2/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 2-(4-propoxyphenyl)pentan-3-one?
2-(4-propoxyphenyl)pentan-3-one has a molecular weight of 220.31 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenyl)pentan-3-one is sourced from PubChem (CID 79307354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).