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

C19H20O — CID 59197895

IUPAC4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol
SMILESC/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(C)cc1
InChIInChI=1S/C19H20O/c1-4-18(15-8-6-14(3)7-9-15)19(5-2)16-10-12-17(20)13-11-16/h4-13,20H,1-3H3/b18-4+,19-5+
InChIKeyKEARXNCODJFQCI-MDTWDURMSA-N
MW264.37 g/mol
LogP5.21
Rot. Bonds3

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

4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol (PubChem CID 59197895) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol.

Molecular Properties

Compound Name4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol
PubChem CID59197895
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol
SMILESC/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(C)cc1
InChIInChI=1S/C19H20O/c1-4-18(15-8-6-14(3)7-9-15)19(5-2)16-10-12-17(20)13-11-16/h4-13,20H,1-3H3/b18-4+,19-5+
InChIKeyKEARXNCODJFQCI-MDTWDURMSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol?
The IUPAC name of 4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol (CID 59197895) is 4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol.
What is the SMILES notation for 4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol?
The canonical SMILES for 4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol is C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(C)cc1.
What is the InChIKey of 4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol?
The InChIKey is KEARXNCODJFQCI-MDTWDURMSA-N. The full InChI is InChI=1S/C19H20O/c1-4-18(15-8-6-14(3)7-9-15)19(5-2)16-10-12-17(20)13-11-16/h4-13,20H,1-3H3/b18-4+,19-5+.
What are the key properties of 4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol?
4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol has a molecular weight of 264.37 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-4-(4-methylphenyl)hexa-2,4-dien-3-yl]phenol is sourced from PubChem (CID 59197895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).