(E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid

C19H26O4 — CID 11723415

IUPAC(E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid
SMILESO=C(O)CC/C=C/c1cccc(CCCOC2CCCCO2)c1
InChIInChI=1S/C19H26O4/c20-18(21)11-2-1-7-16-8-5-9-17(15-16)10-6-14-23-19-12-3-4-13-22-19/h1,5,7-9,15,19H,2-4,6,10-14H2,(H,20,21)/b7-1+
InChIKeyYXPUPHSKNRHXKH-LREOWRDNSA-N
MW318.41 g/mol
LogP4.04
Rot. Bonds9

About (E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid

(E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid (PubChem CID 11723415) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is (E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid.

Molecular Properties

Compound Name(E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid
PubChem CID11723415
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name(E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid
SMILESO=C(O)CC/C=C/c1cccc(CCCOC2CCCCO2)c1
InChIInChI=1S/C19H26O4/c20-18(21)11-2-1-7-16-8-5-9-17(15-16)10-6-14-23-19-12-3-4-13-22-19/h1,5,7-9,15,19H,2-4,6,10-14H2,(H,20,21)/b7-1+
InChIKeyYXPUPHSKNRHXKH-LREOWRDNSA-N
XLogP4.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-[3-[3-(oxan-2-yloxy)propyl]phenyl]hex-5-enoic acid
CID 10042403
methyl 4-[(E)-2-[3-[3-(oxan-2-yloxy)propyl]phenyl]ethenyl]benzoate
CID 10022678
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634
methyl 2-[3-[[3-[3-(oxan-2-yloxy)propyl]phenyl]methyl]phenyl]acetate
CID 10452492
CID 71106654
CID 71106654
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
methyl 6-[3-(oxan-2-yloxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylate
CID 163392743
2-[2-[3-(4-phenylbutoxymethyl)phenyl]ethoxy]oxane
CID 69438064
3-[3-di(propan-2-yl)silylphenyl]propan-1-ol;[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane
CID 157088552
2-[(Z)-6-(oxan-2-yloxy)hex-1-enyl]pyridine
CID 10355306
2-(oxan-2-yloxy)-1-[3-(2-phenylethyl)phenyl]ethanone
CID 157181032
phenyl 4-(oxan-2-yloxy)butanoate
CID 86032233

Frequently Asked Questions

What is the IUPAC name of (E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid?
The IUPAC name of (E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid (CID 11723415) is (E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid.
What is the SMILES notation for (E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid?
The canonical SMILES for (E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid is O=C(O)CC/C=C/c1cccc(CCCOC2CCCCO2)c1.
What is the InChIKey of (E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid?
The InChIKey is YXPUPHSKNRHXKH-LREOWRDNSA-N. The full InChI is InChI=1S/C19H26O4/c20-18(21)11-2-1-7-16-8-5-9-17(15-16)10-6-14-23-19-12-3-4-13-22-19/h1,5,7-9,15,19H,2-4,6,10-14H2,(H,20,21)/b7-1+.
What are the key properties of (E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid?
(E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid has a molecular weight of 318.41 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[3-[3-(oxan-2-yloxy)propyl]phenyl]pent-4-enoic acid is sourced from PubChem (CID 11723415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).