4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one

C19H18O3 — CID 54703088

IUPAC4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one
SMILESCc1cc(-c2ccccc2)ccc1C1=C(O)C(C)(C)OC1=O
InChIInChI=1S/C19H18O3/c1-12-11-14(13-7-5-4-6-8-13)9-10-15(12)16-17(20)19(2,3)22-18(16)21/h4-11,20H,1-3H3
InChIKeyYXYOJCIXSVCHQE-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.27
Rot. Bonds2

About 4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one

4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one (PubChem CID 54703088) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one.

Molecular Properties

Compound Name4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one
PubChem CID54703088
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one
SMILESCc1cc(-c2ccccc2)ccc1C1=C(O)C(C)(C)OC1=O
InChIInChI=1S/C19H18O3/c1-12-11-14(13-7-5-4-6-8-13)9-10-15(12)16-17(20)19(2,3)22-18(16)21/h4-11,20H,1-3H3
InChIKeyYXYOJCIXSVCHQE-UHFFFAOYSA-N
XLogP4.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one?
The IUPAC name of 4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one (CID 54703088) is 4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one.
What is the SMILES notation for 4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one?
The canonical SMILES for 4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one is Cc1cc(-c2ccccc2)ccc1C1=C(O)C(C)(C)OC1=O.
What is the InChIKey of 4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one?
The InChIKey is YXYOJCIXSVCHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-12-11-14(13-7-5-4-6-8-13)9-10-15(12)16-17(20)19(2,3)22-18(16)21/h4-11,20H,1-3H3.
What are the key properties of 4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one?
4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one has a molecular weight of 294.35 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,5-dimethyl-3-(2-methyl-4-phenylphenyl)furan-2-one is sourced from PubChem (CID 54703088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).