2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid

C19H20O3 — CID 67119386

IUPAC2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid
SMILESC=CCC(C(=O)O)c1cccc(-c2ccc(O)cc2)c1CC
InChIInChI=1S/C19H20O3/c1-3-6-18(19(21)22)17-8-5-7-16(15(17)4-2)13-9-11-14(20)12-10-13/h3,5,7-12,18,20H,1,4,6H2,2H3,(H,21,22)
InChIKeyXIEBHVOTINURFF-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.37
Rot. Bonds6

About 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid

2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid (PubChem CID 67119386) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid.

Molecular Properties

Compound Name2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid
PubChem CID67119386
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid
SMILESC=CCC(C(=O)O)c1cccc(-c2ccc(O)cc2)c1CC
InChIInChI=1S/C19H20O3/c1-3-6-18(19(21)22)17-8-5-7-16(15(17)4-2)13-9-11-14(20)12-10-13/h3,5,7-12,18,20H,1,4,6H2,2H3,(H,21,22)
InChIKeyXIEBHVOTINURFF-UHFFFAOYSA-N
XLogP4.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid?
The IUPAC name of 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid (CID 67119386) is 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid.
What is the SMILES notation for 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid?
The canonical SMILES for 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid is C=CCC(C(=O)O)c1cccc(-c2ccc(O)cc2)c1CC.
What is the InChIKey of 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid?
The InChIKey is XIEBHVOTINURFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-6-18(19(21)22)17-8-5-7-16(15(17)4-2)13-9-11-14(20)12-10-13/h3,5,7-12,18,20H,1,4,6H2,2H3,(H,21,22).
What are the key properties of 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid?
2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid has a molecular weight of 296.37 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]pent-4-enoic acid is sourced from PubChem (CID 67119386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).