5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid

C16H22O3 — CID 70920975

IUPAC5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid
SMILESCC1CC(Oc2ccc(CCCCC(=O)O)cc2)C1
InChIInChI=1S/C16H22O3/c1-12-10-15(11-12)19-14-8-6-13(7-9-14)4-2-3-5-16(17)18/h6-9,12,15H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyTXWLJZPCXKPTRK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.66
Rot. Bonds7

About 5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid

5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid (PubChem CID 70920975) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid.

Molecular Properties

Compound Name5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid
PubChem CID70920975
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid
SMILESCC1CC(Oc2ccc(CCCCC(=O)O)cc2)C1
InChIInChI=1S/C16H22O3/c1-12-10-15(11-12)19-14-8-6-13(7-9-14)4-2-3-5-16(17)18/h6-9,12,15H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyTXWLJZPCXKPTRK-UHFFFAOYSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(thian-4-yloxy)phenyl]butanoic acid
CID 117450375
4-[4-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415300
4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
CID 117444593
10-(4-methylphenyl)decanoic acid
CID 54262490
7-(4-hexylphenoxy)heptanoic acid
CID 54502336
3-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]propanoic acid
CID 117095179
4-[4-(thian-3-yloxy)phenyl]butanoic acid
CID 117450374
4-(3-methylcyclobutyl)oxybenzoic acid
CID 156751955
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
15-phenylpentadecanoic acid
CID 2737151
(2S,3S,4S,5R,6S)-6-[4-(6-carboxyhexyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 102124055
7-(4-iodophenyl)heptanoic acid
CID 177483295

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid?
The IUPAC name of 5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid (CID 70920975) is 5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid.
What is the SMILES notation for 5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid?
The canonical SMILES for 5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid is CC1CC(Oc2ccc(CCCCC(=O)O)cc2)C1.
What is the InChIKey of 5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid?
The InChIKey is TXWLJZPCXKPTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12-10-15(11-12)19-14-8-6-13(7-9-14)4-2-3-5-16(17)18/h6-9,12,15H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of 5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid?
5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid is sourced from PubChem (CID 70920975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).