(2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one

C18H16O4 — CID 177478809

IUPAC(2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one
SMILESCOc1ccccc1C1=CC(=O)O[C@@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C18H16O4/c1-21-15-10-6-5-9-13(15)14-11-16(19)22-18(14)17(20)12-7-3-2-4-8-12/h2-11,17-18,20H,1H3/t17-,18+/m1/s1
InChIKeyKYYXSKIIUQLORH-MSOLQXFVSA-N
MW296.32 g/mol
LogP2.74
Rot. Bonds4

About (2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one

(2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one (PubChem CID 177478809) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one
PubChem CID177478809
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name(2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one
SMILESCOc1ccccc1C1=CC(=O)O[C@@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C18H16O4/c1-21-15-10-6-5-9-13(15)14-11-16(19)22-18(14)17(20)12-7-3-2-4-8-12/h2-11,17-18,20H,1H3/t17-,18+/m1/s1
InChIKeyKYYXSKIIUQLORH-MSOLQXFVSA-N
XLogP2.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one?
The IUPAC name of (2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one (CID 177478809) is (2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one is COc1ccccc1C1=CC(=O)O[C@@H]1[C@H](O)c1ccccc1.
What is the InChIKey of (2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one?
The InChIKey is KYYXSKIIUQLORH-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H16O4/c1-21-15-10-6-5-9-13(15)14-11-16(19)22-18(14)17(20)12-7-3-2-4-8-12/h2-11,17-18,20H,1H3/t17-,18+/m1/s1.
What are the key properties of (2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one?
(2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one has a molecular weight of 296.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-hydroxy(phenyl)methyl]-3-(2-methoxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 177478809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).