3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one

C20H18O4 — CID 44591824

IUPAC3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one
SMILESCc1cc(=O)c(O)c(COCc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C20H18O4/c1-14-11-18(21)20(22)19(24-14)13-23-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,22H,12-13H2,1H3
InChIKeyDSVOZVDBZXHCJX-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.04
Rot. Bonds5

About 3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one

3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one (PubChem CID 44591824) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one
PubChem CID44591824
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one
SMILESCc1cc(=O)c(O)c(COCc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C20H18O4/c1-14-11-18(21)20(22)19(24-14)13-23-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,22H,12-13H2,1H3
InChIKeyDSVOZVDBZXHCJX-UHFFFAOYSA-N
XLogP4.04
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one (CID 44591824) is 3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one is Cc1cc(=O)c(O)c(COCc2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of 3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one?
The InChIKey is DSVOZVDBZXHCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-14-11-18(21)20(22)19(24-14)13-23-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,22H,12-13H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one?
3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one has a molecular weight of 322.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-[(4-phenylphenyl)methoxymethyl]pyran-4-one is sourced from PubChem (CID 44591824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).