3-(1-phenylhex-5-en-3-yloxy)butanoic acid

C16H22O3 — CID 562330

IUPAC3-(1-phenylhex-5-en-3-yloxy)butanoic acid
SMILESC=CCC(CCc1ccccc1)OC(C)CC(=O)O
InChIInChI=1S/C16H22O3/c1-3-7-15(19-13(2)12-16(17)18)11-10-14-8-5-4-6-9-14/h3-6,8-9,13,15H,1,7,10-12H2,2H3,(H,17,18)
InChIKeyRWUXSHUTASXXOU-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.44
Rot. Bonds9

About 3-(1-phenylhex-5-en-3-yloxy)butanoic acid

3-(1-phenylhex-5-en-3-yloxy)butanoic acid (PubChem CID 562330) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(1-phenylhex-5-en-3-yloxy)butanoic acid.

Molecular Properties

Compound Name3-(1-phenylhex-5-en-3-yloxy)butanoic acid
PubChem CID562330
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-(1-phenylhex-5-en-3-yloxy)butanoic acid
SMILESC=CCC(CCc1ccccc1)OC(C)CC(=O)O
InChIInChI=1S/C16H22O3/c1-3-7-15(19-13(2)12-16(17)18)11-10-14-8-5-4-6-9-14/h3-6,8-9,13,15H,1,7,10-12H2,2H3,(H,17,18)
InChIKeyRWUXSHUTASXXOU-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-phenylethoxy)butanoic acid
CID 43536152
3-(2-methylhex-5-en-3-yloxy)butanoic acid
CID 560138
[(3R)-3-pent-4-enoxyhex-5-enyl]benzene
CID 134882651
[(3R)-3-[(E)-pent-3-enoxy]hex-5-enyl]benzene
CID 101441106
phenoxy(1-phenylhex-5-en-3-yloxy)methanethione
CID 15757484
(3S)-3-(9-phenylnonanoyloxy)pentadec-14-enoic acid
CID 163513665
(3R)-3-(2-prop-2-enylphenoxy)butanoic acid
CID 103547954
N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide
CID 97170590
benzyl N-(1-phenylhex-5-en-3-yl)carbamate
CID 11120434
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
(3R)-3-methoxycarbonyl-5-phenylpentanoic acid
CID 18652850
[(3R)-3-bromohex-5-enyl]benzene
CID 125475823

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylhex-5-en-3-yloxy)butanoic acid?
The IUPAC name of 3-(1-phenylhex-5-en-3-yloxy)butanoic acid (CID 562330) is 3-(1-phenylhex-5-en-3-yloxy)butanoic acid.
What is the SMILES notation for 3-(1-phenylhex-5-en-3-yloxy)butanoic acid?
The canonical SMILES for 3-(1-phenylhex-5-en-3-yloxy)butanoic acid is C=CCC(CCc1ccccc1)OC(C)CC(=O)O.
What is the InChIKey of 3-(1-phenylhex-5-en-3-yloxy)butanoic acid?
The InChIKey is RWUXSHUTASXXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-7-15(19-13(2)12-16(17)18)11-10-14-8-5-4-6-9-14/h3-6,8-9,13,15H,1,7,10-12H2,2H3,(H,17,18).
What are the key properties of 3-(1-phenylhex-5-en-3-yloxy)butanoic acid?
3-(1-phenylhex-5-en-3-yloxy)butanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylhex-5-en-3-yloxy)butanoic acid is sourced from PubChem (CID 562330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).