(2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate

C14H16O5 — CID 124504616

IUPAC(2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate
SMILESCOc1ccc(C(C)=O)c(OC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C14H16O5/c1-9(15)11-6-5-10(17-2)8-13(11)19-14(16)12-4-3-7-18-12/h5-6,8,12H,3-4,7H2,1-2H3/t12-/m1/s1
InChIKeyPAPNSQBAUZCMRK-GFCCVEGCSA-N
MW264.28 g/mol
LogP1.98
Rot. Bonds4

About (2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate

(2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate (PubChem CID 124504616) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate.

Molecular Properties

Compound Name(2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate
PubChem CID124504616
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name(2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate
SMILESCOc1ccc(C(C)=O)c(OC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C14H16O5/c1-9(15)11-6-5-10(17-2)8-13(11)19-14(16)12-4-3-7-18-12/h5-6,8,12H,3-4,7H2,1-2H3/t12-/m1/s1
InChIKeyPAPNSQBAUZCMRK-GFCCVEGCSA-N
XLogP1.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[4-[(2,4-dimethoxybenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 51936894
[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] oxolane-2-carboxylate
CID 110274925
1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone
CID 82001609
(4-methylphenyl) oxolane-2-carboxylate
CID 143671181
1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
CID 6425501
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
(2-acetyl-5-methoxyphenyl) 3,4-dimethoxybenzoate
CID 889085
[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl] (2R)-oxolane-2-carboxylate
CID 7082784
N-(2,4-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
CID 3534553
(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
(2-acetyl-5-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate
CID 91741492
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012

Frequently Asked Questions

What is the IUPAC name of (2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate?
The IUPAC name of (2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate (CID 124504616) is (2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate.
What is the SMILES notation for (2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate?
The canonical SMILES for (2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate is COc1ccc(C(C)=O)c(OC(=O)[C@H]2CCCO2)c1.
What is the InChIKey of (2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate?
The InChIKey is PAPNSQBAUZCMRK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16O5/c1-9(15)11-6-5-10(17-2)8-13(11)19-14(16)12-4-3-7-18-12/h5-6,8,12H,3-4,7H2,1-2H3/t12-/m1/s1.
What are the key properties of (2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate?
(2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-5-methoxyphenyl) (2R)-oxolane-2-carboxylate is sourced from PubChem (CID 124504616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).