3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione

C18H16O4 — CID 91178534

IUPAC3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione
SMILESCc1ccc(-c2ccc(C3(C)OC(=O)C(O)C3=O)cc2)cc1
InChIInChI=1S/C18H16O4/c1-11-3-5-12(6-4-11)13-7-9-14(10-8-13)18(2)16(20)15(19)17(21)22-18/h3-10,15,19H,1-2H3
InChIKeyLATOWXAVQQRANR-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.36
Rot. Bonds2

About 3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione

3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione (PubChem CID 91178534) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione
PubChem CID91178534
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione
SMILESCc1ccc(-c2ccc(C3(C)OC(=O)C(O)C3=O)cc2)cc1
InChIInChI=1S/C18H16O4/c1-11-3-5-12(6-4-11)13-7-9-14(10-8-13)18(2)16(20)15(19)17(21)22-18/h3-10,15,19H,1-2H3
InChIKeyLATOWXAVQQRANR-UHFFFAOYSA-N
XLogP2.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethyl-5-(4-methylphenyl)-3,6-dioxabicyclo[3.1.0]hexan-2-one
CID 59887285
(2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one
CID 125486270
3-methyl-3-(4-methylphenyl)-4H-isochromen-1-one
CID 175365018
3,4-dimethyl-3,4-bis(4-methylphenyl)oxolane-2,5-dione
CID 134922179
(5S)-5-[4-(4-bromophenyl)phenyl]-3,4-dihydroxy-5-methylfuran-2-one
CID 70240775
3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one
CID 100934650
3,3-bis(4-methylphenyl)-3a,6a-dihydrodithiolo[3,4-c]furan-4,6-dione
CID 11013727
2,4-dimethyl-4-(4-methylphenyl)cyclohexane-1,3-dione
CID 23631201
(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-(4-methylphenyl)iodanium
CID 87562106
5-(4-methylphenyl)-3,5-diphenylfuran-2-one
CID 12559993
azane;fluoromethane;formaldehyde;1-methyl-4-(4-methylphenyl)benzene
CID 144851879
2-hydroxy-2-(4-methylphenyl)-5-phenylfuran-3-one
CID 135029124

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione?
The IUPAC name of 3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione (CID 91178534) is 3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione.
What is the SMILES notation for 3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione?
The canonical SMILES for 3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione is Cc1ccc(-c2ccc(C3(C)OC(=O)C(O)C3=O)cc2)cc1.
What is the InChIKey of 3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione?
The InChIKey is LATOWXAVQQRANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-11-3-5-12(6-4-11)13-7-9-14(10-8-13)18(2)16(20)15(19)17(21)22-18/h3-10,15,19H,1-2H3.
What are the key properties of 3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione?
3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione has a molecular weight of 296.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methyl-5-[4-(4-methylphenyl)phenyl]oxolane-2,4-dione is sourced from PubChem (CID 91178534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).