4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol

C18H18O — CID 126711831

IUPAC4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol
SMILESC/C=C\C(=C/C)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C18H18O/c1-3-5-14(4-2)15-6-8-16(9-7-15)17-10-12-18(19)13-11-17/h3-13,19H,1-2H3/b5-3-,14-4+
InChIKeyURJCYRFKLDBDMN-NUTJIFLOSA-N
MW250.34 g/mol
LogP5.04
Rot. Bonds3

About 4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol

4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol (PubChem CID 126711831) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol
PubChem CID126711831
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol
SMILESC/C=C\C(=C/C)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C18H18O/c1-3-5-14(4-2)15-6-8-16(9-7-15)17-10-12-18(19)13-11-17/h3-13,19H,1-2H3/b5-3-,14-4+
InChIKeyURJCYRFKLDBDMN-NUTJIFLOSA-N
XLogP5.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.34
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]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-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol?
The IUPAC name of 4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol (CID 126711831) is 4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol.
What is the SMILES notation for 4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol?
The canonical SMILES for 4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol is C/C=C\C(=C/C)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol?
The InChIKey is URJCYRFKLDBDMN-NUTJIFLOSA-N. The full InChI is InChI=1S/C18H18O/c1-3-5-14(4-2)15-6-8-16(9-7-15)17-10-12-18(19)13-11-17/h3-13,19H,1-2H3/b5-3-,14-4+.
What are the key properties of 4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol?
4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol has a molecular weight of 250.34 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol is sourced from PubChem (CID 126711831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).