4-(3-acetylphenoxy)pentanoic acid

C13H16O4 — CID 62213253

IUPAC4-(3-acetylphenoxy)pentanoic acid
SMILESCC(=O)c1cccc(OC(C)CCC(=O)O)c1
InChIInChI=1S/C13H16O4/c1-9(6-7-13(15)16)17-12-5-3-4-11(8-12)10(2)14/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)
InChIKeyMPFAZHIPTLSDQP-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.52
Rot. Bonds6

About 4-(3-acetylphenoxy)pentanoic acid

4-(3-acetylphenoxy)pentanoic acid (PubChem CID 62213253) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(3-acetylphenoxy)pentanoic acid.

Molecular Properties

Compound Name4-(3-acetylphenoxy)pentanoic acid
PubChem CID62213253
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name4-(3-acetylphenoxy)pentanoic acid
SMILESCC(=O)c1cccc(OC(C)CCC(=O)O)c1
InChIInChI=1S/C13H16O4/c1-9(6-7-13(15)16)17-12-5-3-4-11(8-12)10(2)14/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)
InChIKeyMPFAZHIPTLSDQP-UHFFFAOYSA-N
XLogP2.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(methoxymethyl)phenoxy]pentanoic acid
CID 63986541
4-(3-chloro-4-cyanophenoxy)pentanoic acid
CID 102723946
4-(4-methylphenoxy)pentanoic acid
CID 62214144
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
1-(3-hydroperoxyphenyl)ethanone
CID 21289599
1-(3-pent-3-yn-2-yloxyphenyl)ethanone
CID 118412024
4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid
CID 86195732
(3-acetylphenyl) (2S)-2-aminopropanoate
CID 121364925
2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119505122
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
2-(3-acetylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51141698
1-[3-(3-bromo-2-methylpropoxy)phenyl]ethanone
CID 64996193

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenoxy)pentanoic acid?
The IUPAC name of 4-(3-acetylphenoxy)pentanoic acid (CID 62213253) is 4-(3-acetylphenoxy)pentanoic acid.
What is the SMILES notation for 4-(3-acetylphenoxy)pentanoic acid?
The canonical SMILES for 4-(3-acetylphenoxy)pentanoic acid is CC(=O)c1cccc(OC(C)CCC(=O)O)c1.
What is the InChIKey of 4-(3-acetylphenoxy)pentanoic acid?
The InChIKey is MPFAZHIPTLSDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-9(6-7-13(15)16)17-12-5-3-4-11(8-12)10(2)14/h3-5,8-9H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 4-(3-acetylphenoxy)pentanoic acid?
4-(3-acetylphenoxy)pentanoic acid has a molecular weight of 236.27 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenoxy)pentanoic acid is sourced from PubChem (CID 62213253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).