(5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one

C21H20O2 — CID 166606412

IUPAC(5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one
SMILESCC1=C(c2cccc(-c3ccccc3)c2)C(=O)O/C1=C\C(C)C
InChIInChI=1S/C21H20O2/c1-14(2)12-19-15(3)20(21(22)23-19)18-11-7-10-17(13-18)16-8-5-4-6-9-16/h4-14H,1-3H3/b19-12-
InChIKeyZAXAPSOGPMEGJY-UNOMPAQXSA-N
MW304.39 g/mol
LogP5.22
Rot. Bonds3

About (5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one

(5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one (PubChem CID 166606412) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one.

Molecular Properties

Compound Name(5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one
PubChem CID166606412
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name(5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one
SMILESCC1=C(c2cccc(-c3ccccc3)c2)C(=O)O/C1=C\C(C)C
InChIInChI=1S/C21H20O2/c1-14(2)12-19-15(3)20(21(22)23-19)18-11-7-10-17(13-18)16-8-5-4-6-9-16/h4-14H,1-3H3/b19-12-
InChIKeyZAXAPSOGPMEGJY-UNOMPAQXSA-N
XLogP5.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one?
The IUPAC name of (5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one (CID 166606412) is (5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one.
What is the SMILES notation for (5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one?
The canonical SMILES for (5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one is CC1=C(c2cccc(-c3ccccc3)c2)C(=O)O/C1=C\C(C)C.
What is the InChIKey of (5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one?
The InChIKey is ZAXAPSOGPMEGJY-UNOMPAQXSA-N. The full InChI is InChI=1S/C21H20O2/c1-14(2)12-19-15(3)20(21(22)23-19)18-11-7-10-17(13-18)16-8-5-4-6-9-16/h4-14H,1-3H3/b19-12-.
What are the key properties of (5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one?
(5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one has a molecular weight of 304.39 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-methyl-5-(2-methylpropylidene)-3-(3-phenylphenyl)furan-2-one is sourced from PubChem (CID 166606412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).