1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one

C23H24O2 — CID 151932005

IUPAC1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one
SMILESCC=CC(=O)c1ccccc1C(C)(C)c1ccccc1C(=O)C=CC
InChIInChI=1S/C23H24O2/c1-5-11-21(24)17-13-7-9-15-19(17)23(3,4)20-16-10-8-14-18(20)22(25)12-6-2/h5-16H,1-4H3
InChIKeySYZKZJTWHKHPCE-UHFFFAOYSA-N
MW332.44 g/mol
LogP5.53
Rot. Bonds6

About 1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one

1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one (PubChem CID 151932005) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one.

Molecular Properties

Compound Name1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one
PubChem CID151932005
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one
SMILESCC=CC(=O)c1ccccc1C(C)(C)c1ccccc1C(=O)C=CC
InChIInChI=1S/C23H24O2/c1-5-11-21(24)17-13-7-9-15-19(17)23(3,4)20-16-10-8-14-18(20)22(25)12-6-2/h5-16H,1-4H3
InChIKeySYZKZJTWHKHPCE-UHFFFAOYSA-N
XLogP5.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.53
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 1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one?
The IUPAC name of 1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one (CID 151932005) is 1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one.
What is the SMILES notation for 1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one?
The canonical SMILES for 1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one is CC=CC(=O)c1ccccc1C(C)(C)c1ccccc1C(=O)C=CC.
What is the InChIKey of 1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one?
The InChIKey is SYZKZJTWHKHPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c1-5-11-21(24)17-13-7-9-15-19(17)23(3,4)20-16-10-8-14-18(20)22(25)12-6-2/h5-16H,1-4H3.
What are the key properties of 1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one?
1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one has a molecular weight of 332.44 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-but-2-enoylphenyl)propan-2-yl]phenyl]but-2-en-1-one is sourced from PubChem (CID 151932005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).