(4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone

C19H18O2 — CID 175344897

IUPAC(4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone
SMILESC=CCC(C=C)c1ccc(C(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H18O2/c1-3-7-14(4-2)15-10-12-16(13-11-15)19(21)17-8-5-6-9-18(17)20/h3-6,8-14,20H,1-2,7H2
InChIKeyGPQSHCUPQLLCLC-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.47
Rot. Bonds6

About (4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone

(4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone (PubChem CID 175344897) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone
PubChem CID175344897
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone
SMILESC=CCC(C=C)c1ccc(C(=O)c2ccccc2O)cc1
InChIInChI=1S/C19H18O2/c1-3-7-14(4-2)15-10-12-16(13-11-15)19(21)17-8-5-6-9-18(17)20/h3-6,8-14,20H,1-2,7H2
InChIKeyGPQSHCUPQLLCLC-UHFFFAOYSA-N
XLogP4.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone (CID 175344897) is (4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone is C=CCC(C=C)c1ccc(C(=O)c2ccccc2O)cc1.
What is the InChIKey of (4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone?
The InChIKey is GPQSHCUPQLLCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-3-7-14(4-2)15-10-12-16(13-11-15)19(21)17-8-5-6-9-18(17)20/h3-6,8-14,20H,1-2,7H2.
What are the key properties of (4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone?
(4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexa-1,5-dien-3-ylphenyl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 175344897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).