4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol

C17H14O3 — CID 10084256

IUPAC4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol
SMILESOc1ccc(C#C/C=C/COc2ccc(O)cc2)cc1
InChIInChI=1S/C17H14O3/c18-15-7-5-14(6-8-15)4-2-1-3-13-20-17-11-9-16(19)10-12-17/h1,3,5-12,18-19H,13H2/b3-1+
InChIKeyGXRXAVMCQJHRCM-HNQUOIGGSA-N
MW266.30 g/mol
LogP3.08
Rot. Bonds3

About 4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol

4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol (PubChem CID 10084256) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol.

Molecular Properties

Compound Name4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol
PubChem CID10084256
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol
SMILESOc1ccc(C#C/C=C/COc2ccc(O)cc2)cc1
InChIInChI=1S/C17H14O3/c18-15-7-5-14(6-8-15)4-2-1-3-13-20-17-11-9-16(19)10-12-17/h1,3,5-12,18-19H,13H2/b3-1+
InChIKeyGXRXAVMCQJHRCM-HNQUOIGGSA-N
XLogP3.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol?
The IUPAC name of 4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol (CID 10084256) is 4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol.
What is the SMILES notation for 4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol?
The canonical SMILES for 4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol is Oc1ccc(C#C/C=C/COc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol?
The InChIKey is GXRXAVMCQJHRCM-HNQUOIGGSA-N. The full InChI is InChI=1S/C17H14O3/c18-15-7-5-14(6-8-15)4-2-1-3-13-20-17-11-9-16(19)10-12-17/h1,3,5-12,18-19H,13H2/b3-1+.
What are the key properties of 4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol?
4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol has a molecular weight of 266.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol is sourced from PubChem (CID 10084256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).