4-(5-phenylpenta-2,4-dien-2-yl)phenol

C17H16O — CID 87425286

IUPAC4-(5-phenylpenta-2,4-dien-2-yl)phenol
SMILESCC(=CC=Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C17H16O/c1-14(16-10-12-17(18)13-11-16)6-5-9-15-7-3-2-4-8-15/h2-13,18H,1H3
InChIKeyDPWZICZYXKXJPW-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.51
Rot. Bonds3

About 4-(5-phenylpenta-2,4-dien-2-yl)phenol

4-(5-phenylpenta-2,4-dien-2-yl)phenol (PubChem CID 87425286) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(5-phenylpenta-2,4-dien-2-yl)phenol.

Molecular Properties

Compound Name4-(5-phenylpenta-2,4-dien-2-yl)phenol
PubChem CID87425286
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name4-(5-phenylpenta-2,4-dien-2-yl)phenol
SMILESCC(=CC=Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C17H16O/c1-14(16-10-12-17(18)13-11-16)6-5-9-15-7-3-2-4-8-15/h2-13,18H,1H3
InChIKeyDPWZICZYXKXJPW-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.51
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-(5-phenylpenta-2,4-dien-2-yl)phenol?
The IUPAC name of 4-(5-phenylpenta-2,4-dien-2-yl)phenol (CID 87425286) is 4-(5-phenylpenta-2,4-dien-2-yl)phenol.
What is the SMILES notation for 4-(5-phenylpenta-2,4-dien-2-yl)phenol?
The canonical SMILES for 4-(5-phenylpenta-2,4-dien-2-yl)phenol is CC(=CC=Cc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-(5-phenylpenta-2,4-dien-2-yl)phenol?
The InChIKey is DPWZICZYXKXJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-14(16-10-12-17(18)13-11-16)6-5-9-15-7-3-2-4-8-15/h2-13,18H,1H3.
What are the key properties of 4-(5-phenylpenta-2,4-dien-2-yl)phenol?
4-(5-phenylpenta-2,4-dien-2-yl)phenol has a molecular weight of 236.31 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylpenta-2,4-dien-2-yl)phenol is sourced from PubChem (CID 87425286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).