2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one

C25H22O2 — CID 2802342

IUPAC2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one
SMILESCC(C)c1ccc(C=C2C(=O)c3ccccc3OC2c2ccccc2)cc1
InChIInChI=1S/C25H22O2/c1-17(2)19-14-12-18(13-15-19)16-22-24(26)21-10-6-7-11-23(21)27-25(22)20-8-4-3-5-9-20/h3-17,25H,1-2H3
InChIKeyVHFWDYUIRZTXOX-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.21
Rot. Bonds3

About 2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one

2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one (PubChem CID 2802342) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one.

Molecular Properties

Compound Name2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one
PubChem CID2802342
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one
SMILESCC(C)c1ccc(C=C2C(=O)c3ccccc3OC2c2ccccc2)cc1
InChIInChI=1S/C25H22O2/c1-17(2)19-14-12-18(13-15-19)16-22-24(26)21-10-6-7-11-23(21)27-25(22)20-8-4-3-5-9-20/h3-17,25H,1-2H3
InChIKeyVHFWDYUIRZTXOX-UHFFFAOYSA-N
XLogP6.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one?
The IUPAC name of 2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one (CID 2802342) is 2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one.
What is the SMILES notation for 2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one?
The canonical SMILES for 2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one is CC(C)c1ccc(C=C2C(=O)c3ccccc3OC2c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one?
The InChIKey is VHFWDYUIRZTXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O2/c1-17(2)19-14-12-18(13-15-19)16-22-24(26)21-10-6-7-11-23(21)27-25(22)20-8-4-3-5-9-20/h3-17,25H,1-2H3.
What are the key properties of 2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one?
2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one has a molecular weight of 354.45 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[(4-propan-2-ylphenyl)methylidene]chromen-4-one is sourced from PubChem (CID 2802342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).