4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol

C18H18O2 — CID 3049

IUPAC4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
SMILESCC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3
InChIKeyNFDFQCUYFHCNBW-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.60
Rot. Bonds3

About 4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol

4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol (PubChem CID 3049) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
PubChem CID3049
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
SMILESCC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3
InChIKeyNFDFQCUYFHCNBW-UHFFFAOYSA-N
XLogP4.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol?
The IUPAC name of 4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol (CID 3049) is 4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol is CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol?
The InChIKey is NFDFQCUYFHCNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3.
What are the key properties of 4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol?
4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol has a molecular weight of 266.34 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol is sourced from PubChem (CID 3049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).