3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid

C17H24O4 — CID 70144087

IUPAC3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(OCCCCCCCCO)cc1
InChIInChI=1S/C17H24O4/c18-13-5-3-1-2-4-6-14-21-16-10-7-15(8-11-16)9-12-17(19)20/h7-12,18H,1-6,13-14H2,(H,19,20)
InChIKeyBOKXDISLURJEJW-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.50
Rot. Bonds11

About 3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid

3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid (PubChem CID 70144087) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid
PubChem CID70144087
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(OCCCCCCCCO)cc1
InChIInChI=1S/C17H24O4/c18-13-5-3-1-2-4-6-14-21-16-10-7-15(8-11-16)9-12-17(19)20/h7-12,18H,1-6,13-14H2,(H,19,20)
InChIKeyBOKXDISLURJEJW-UHFFFAOYSA-N
XLogP3.50
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;3-[4-(6-hydroxyhexoxy)phenyl]prop-2-enoic acid
CID 175055126
3-[4-(6-chlorohexoxy)phenyl]prop-2-enoic acid
CID 68524192
3-(4-decoxyphenyl)prop-2-enoic acid
CID 3472198
1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid
CID 175052952
3-[4-(12-prop-2-enoyloxydodecoxy)phenyl]prop-2-enoic acid
CID 67554557
(E)-3-[4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoic acid
CID 11208514
3-[4-[2-[bis(2-hydroxyethyl)amino]ethoxy]phenyl]prop-2-enoic acid
CID 76909195
(E)-3-[4-[2-(2-hydroxyethylsulfanyl)ethoxy]phenyl]prop-2-enoic acid
CID 94233238
3-[4-(2-hexoxyethoxy)phenyl]prop-2-enoic acid
CID 76908990
methyl (E)-3-[4-[4-(6-hydroxyhexoxy)benzoyl]phenyl]prop-2-enoate
CID 90399471
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082

Frequently Asked Questions

What is the IUPAC name of 3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid (CID 70144087) is 3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid is O=C(O)C=Cc1ccc(OCCCCCCCCO)cc1.
What is the InChIKey of 3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid?
The InChIKey is BOKXDISLURJEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c18-13-5-3-1-2-4-6-14-21-16-10-7-15(8-11-16)9-12-17(19)20/h7-12,18H,1-6,13-14H2,(H,19,20).
What are the key properties of 3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid?
3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.50, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(8-hydroxyoctoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 70144087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).