(2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one

C12H12O5 — CID 100965739

IUPAC(2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one
SMILESCOc1ccc(O[C@@H]2C=CC(=O)O2)c(OC)c1
InChIInChI=1S/C12H12O5/c1-14-8-3-4-9(10(7-8)15-2)16-12-6-5-11(13)17-12/h3-7,12H,1-2H3/t12-/m0/s1
InChIKeyRDMUDPIJUYWIQB-LBPRGKRZSA-N
MW236.22 g/mol
LogP1.52
Rot. Bonds4

About (2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one

(2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one (PubChem CID 100965739) has the molecular formula C12H12O5 and a molecular weight of 236.22 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one
PubChem CID100965739
Molecular FormulaC12H12O5
Molecular Weight236.22 g/mol
Exact Mass236.07
IUPAC Name(2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one
SMILESCOc1ccc(O[C@@H]2C=CC(=O)O2)c(OC)c1
InChIInChI=1S/C12H12O5/c1-14-8-3-4-9(10(7-8)15-2)16-12-6-5-11(13)17-12/h3-7,12H,1-2H3/t12-/m0/s1
InChIKeyRDMUDPIJUYWIQB-LBPRGKRZSA-N
XLogP1.52
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one 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

(2S)-2-[(R)-(4-bromoanilino)-(2,4-dimethoxyphenyl)methyl]-2H-furan-5-one
CID 134839260
O-(2,5-dimethoxyphenyl)hydroxylamine
CID 117273124
(2,4-dimethoxyphenyl) formate
CID 11137749
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
4-(2,4-dimethoxyphenoxy)benzaldehyde
CID 118874779
(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 11078443
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 90324050
2-(2,4-dimethoxyphenoxy)ethylhydrazine
CID 3053305

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one?
The IUPAC name of (2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one (CID 100965739) is (2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one.
What is the SMILES notation for (2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one?
The canonical SMILES for (2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one is COc1ccc(O[C@@H]2C=CC(=O)O2)c(OC)c1.
What is the InChIKey of (2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one?
The InChIKey is RDMUDPIJUYWIQB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12O5/c1-14-8-3-4-9(10(7-8)15-2)16-12-6-5-11(13)17-12/h3-7,12H,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one?
(2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one has a molecular weight of 236.22 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethoxyphenoxy)-2H-furan-5-one is sourced from PubChem (CID 100965739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).