(3S)-3-(3-methoxyphenyl)oxolane-2,5-dione

C11H10O4 — CID 98232209

IUPAC(3S)-3-(3-methoxyphenyl)oxolane-2,5-dione
SMILESCOc1cccc([C@@H]2CC(=O)OC2=O)c1
InChIInChI=1S/C11H10O4/c1-14-8-4-2-3-7(5-8)9-6-10(12)15-11(9)13/h2-5,9H,6H2,1H3/t9-/m0/s1
InChIKeyFBQPQJDZIGJWLI-VIFPVBQESA-N
MW206.20 g/mol
LogP1.25
Rot. Bonds2

About (3S)-3-(3-methoxyphenyl)oxolane-2,5-dione

(3S)-3-(3-methoxyphenyl)oxolane-2,5-dione (PubChem CID 98232209) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is (3S)-3-(3-methoxyphenyl)oxolane-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(3-methoxyphenyl)oxolane-2,5-dione
PubChem CID98232209
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name(3S)-3-(3-methoxyphenyl)oxolane-2,5-dione
SMILESCOc1cccc([C@@H]2CC(=O)OC2=O)c1
InChIInChI=1S/C11H10O4/c1-14-8-4-2-3-7(5-8)9-6-10(12)15-11(9)13/h2-5,9H,6H2,1H3/t9-/m0/s1
InChIKeyFBQPQJDZIGJWLI-VIFPVBQESA-N
XLogP1.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(trifluoromethoxy)phenyl]oxolane-2,5-dione
CID 144594368
3-(3-methylphenyl)oxolane-2,5-dione
CID 71683747
3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one
CID 156772297
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
(4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306091
(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 53466595
3-(3-methoxyphenyl)pyrrolidine-2,5-dione;tribromoborane
CID 157349957
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
3-(3-methoxyphenyl)oxetane
CID 130113867
4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one
CID 44568001
1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 177405211
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methoxyphenyl)oxolane-2,5-dione?
The IUPAC name of (3S)-3-(3-methoxyphenyl)oxolane-2,5-dione (CID 98232209) is (3S)-3-(3-methoxyphenyl)oxolane-2,5-dione.
What is the SMILES notation for (3S)-3-(3-methoxyphenyl)oxolane-2,5-dione?
The canonical SMILES for (3S)-3-(3-methoxyphenyl)oxolane-2,5-dione is COc1cccc([C@@H]2CC(=O)OC2=O)c1.
What is the InChIKey of (3S)-3-(3-methoxyphenyl)oxolane-2,5-dione?
The InChIKey is FBQPQJDZIGJWLI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10O4/c1-14-8-4-2-3-7(5-8)9-6-10(12)15-11(9)13/h2-5,9H,6H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-(3-methoxyphenyl)oxolane-2,5-dione?
(3S)-3-(3-methoxyphenyl)oxolane-2,5-dione has a molecular weight of 206.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methoxyphenyl)oxolane-2,5-dione is sourced from PubChem (CID 98232209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).