4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol

C17H16O2 — CID 102326871

IUPAC4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
SMILESOc1ccc(/C=C\C/C=C\c2ccc(O)cc2)cc1
InChIInChI=1S/C17H16O2/c18-16-10-6-14(7-11-16)4-2-1-3-5-15-8-12-17(19)13-9-15/h2-13,18-19H,1H2/b4-2-,5-3-
InChIKeyYAICIVXHPPILRT-JVLMNHKTSA-N
MW252.31 g/mol
LogP4.21
Rot. Bonds4

About 4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol

4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol (PubChem CID 102326871) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol.

Molecular Properties

Compound Name4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
PubChem CID102326871
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
SMILESOc1ccc(/C=C\C/C=C\c2ccc(O)cc2)cc1
InChIInChI=1S/C17H16O2/c18-16-10-6-14(7-11-16)4-2-1-3-5-15-8-12-17(19)13-9-15/h2-13,18-19H,1H2/b4-2-,5-3-
InChIKeyYAICIVXHPPILRT-JVLMNHKTSA-N
XLogP4.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol?
The IUPAC name of 4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol (CID 102326871) is 4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol.
What is the SMILES notation for 4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol?
The canonical SMILES for 4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol is Oc1ccc(/C=C\C/C=C\c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol?
The InChIKey is YAICIVXHPPILRT-JVLMNHKTSA-N. The full InChI is InChI=1S/C17H16O2/c18-16-10-6-14(7-11-16)4-2-1-3-5-15-8-12-17(19)13-9-15/h2-13,18-19H,1H2/b4-2-,5-3-.
What are the key properties of 4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol?
4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol has a molecular weight of 252.31 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol is sourced from PubChem (CID 102326871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).